13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-101.16868021 magmom=22.0006497 free_energy=-101.17120892 stress="-0.050646226893189226 -0.004774126554275083 0.004811688361892742 -0.004774126554275083 -0.050843990358144665 -0.013626204200320334 0.004811688361892742 -0.013626204200320334 -0.04911110764474339" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11724000       5.31909000       0.89815000       0.44497253       0.17390607      -0.01862033
Cr       1.91801000       0.92043000       5.12403000      -0.44495618      -0.17402911       0.01841714
Cr       1.68236000       2.79777000       1.74221000      -0.03232983       0.27450226      -0.15031287
Cr       0.35288000       3.44175000       4.27996000       0.03243496      -0.27460358       0.15037092
Cr       0.00000000       0.00000000       0.00000000       0.00002516      -0.00000943      -0.00002324
Cr       0.92105000      -0.93034000       3.01109000       0.00008421      -0.00005259      -0.00007284
O        0.15641000       1.80134000       0.86430000       0.13212782      -0.15874773       0.54869590
O        1.87884000       4.43818000       5.15787000      -0.13225014       0.15850916      -0.54874912
O        2.65070000       7.06326000       1.67952000      -0.59634814       0.56089680      -0.19095679
O       -0.61545000      -0.82375000       4.34265000       0.59621396      -0.56093800       0.19102791
O        0.20473000       4.02593000       2.38213000       0.08053730      -0.20699206       0.51912865
O        1.83051000       2.21358000       3.64004000      -0.08050614       0.20733566      -0.51887080
O        1.59117000       4.05010000       0.00000000      -0.00000551       0.00022255      -0.00003453
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.10653158 magmom=21.999379 free_energy=-100.10754958 stress="-0.06987797826814975 0.011519314868534624 0.01647503926678194 0.011519314868534624 -0.08178144731919434 -0.0005886690504378131 0.01647503926678194 -0.0005886690504378131 -0.10218050328200122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16789000       5.31985000       0.78016000       0.31118577      -1.36685142       3.46895462
Cr       1.80817000       0.96139000       5.13785000      -0.16849664      -0.84701849      -0.78378814
Cr       1.69839000       2.74660000       1.79083000      -1.54468358       1.39672492      -0.24706431
Cr       0.37821000       3.45427000       4.31668000       0.66987663       0.20514401      -1.49084237
Cr       0.07101000       0.07791000       0.07700000      -0.26706332      -1.80071063      -0.88888991
Cr       1.11713000       7.08447000       3.00628000      -1.42367781       0.05747953      -0.70004803
O        0.04110000       1.81131000       0.88338000       1.56065405       0.17820016       0.17210380
O        1.98710000       4.40121000       5.23794000      -0.82887487       2.36951169      -2.67625215
O        2.62034000       7.04238000       1.58703000      -0.43139845       0.40687797       1.32922308
O       -0.74889000      -0.83321000       4.36466000       1.92887270       0.00928930       0.15771834
O        0.17983000       3.95825000       2.38349000       0.45815345       1.02076912      -0.45199964
O        1.85807000       2.28176000       3.61474000      -0.16937099      -0.89570707       0.69708252
O        0.42984000       2.26056000       5.84401000      -0.09517694      -0.73370908       1.41380218
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74943956 magmom=22.0082003 free_energy=-99.75382267 stress="-0.061022379630768855 0.012945361360749174 -6.973614428614686e-05 0.012945361360749174 -0.05021071166288236 -0.01866263777152727 -6.973614428614686e-05 -0.01866263777152727 -0.07393055801229677" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21682000       5.27159000       0.79445000      -0.28580684       1.91497863      -1.03188659
Cr       1.66731000       0.94472000       5.12261000       0.40055266      -1.90600098       0.72148594
Cr       1.62589000       2.73236000       1.83719000       1.52658983       0.94733879      -0.92407280
Cr       0.44922000       3.51484000       4.25036000      -0.59440125       1.02172644       0.53400347
Cr       0.13365000       0.09719000       0.12140000      -0.30342282      -1.27406563      -1.09792341
Cr       1.04664000       6.96928000       2.97791000       1.36044283       0.63003130       2.71374702
O        0.21110000       1.86627000       0.86066000      -1.02214684      -0.31903700       1.10687908
O        1.98327000       4.70709000       4.98754000      -0.20552038      -1.70522000       0.36489133
O        2.64549000       6.94349000       1.74206000      -1.44284584       0.31879559      -2.19414470
O       -0.67339000      -0.75920000       4.36932000       0.57323664      -0.28287191      -0.07702527
O        0.25067000       4.09686000       2.24480000      -0.35322025      -1.51654275       2.62318455
O        1.85834000       2.19455000       3.78237000       0.30372703       1.78359650      -2.72444547
O        0.42106000       2.24529000       5.94435000       0.04281522       0.38727102      -0.01469315
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.32865337 magmom=22.001018 free_energy=-99.32867239 stress="-0.05573991446424182 0.02350768348572822 0.01801254023141966 0.02350768348572822 -0.04449290511080213 -0.04252332301914463 0.01801254023141966 -0.04252332301914463 -0.06869110293535997" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24638000       5.29508000       0.80113000       0.29638838      -0.56276250      -1.10741561
Cr       1.51247000       0.82368000       5.11607000       0.06602706       1.75762664      -0.24009122
Cr       1.60915000       2.76612000       1.84258000       2.25739511       1.43255191      -1.17569487
Cr       0.51709000       3.69341000       4.16414000      -1.45901365      -1.33938567       2.35026107
Cr       0.19401000       0.05712000       0.09383000      -0.31276861      -0.61128214      -0.51362998
Cr       1.00914000       6.84174000       3.07697000       1.53583375       0.46803681      -0.02268527
O        0.23158000       1.83983000       0.95324000      -1.44055173      -0.94669098       0.00232314
O        1.93797000       4.85526000       4.72687000       0.62930980      -0.25447689       1.02921655
O        2.56096000       6.77332000       1.70093000      -1.08603713       2.11893578      -0.09007721
O       -0.53192000      -0.67561000       4.34036000      -0.50518077      -0.71287695       0.96570817
O        0.29436000       4.09893000       2.39338000      -0.58530211      -0.02849031      -0.98400188
O        1.87520000       2.30603000       3.66855000       0.00487448      -0.35865680       0.88532510
O        1.64210000       4.12903000       0.15556000       0.59902542      -0.96252890      -1.09923800
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.67388554 magmom=22.0022301 free_energy=-98.67389282 stress="-0.048464217472620856 0.02909071562704955 0.03440886034304565 0.02909071562704955 -0.05515517645356469 -0.03616291854331869 0.03440886034304565 -0.03616291854331869 -0.06281840814138537" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26875000       5.30787000       0.76636000       1.70620127       0.17419675      -0.18949111
Cr       1.37638000       0.76107000       5.09202000       0.51265725       2.11369774      -0.25520312
Cr       1.70908000       2.84391000       1.79228000      -0.84397957      -0.35103628       0.82656744
Cr       0.51275000       3.83760000       4.20567000      -0.53837795      -3.59306444      -0.27421904
Cr       0.22588000      -0.00238000       0.02346000      -0.49845244       0.17040483       1.38941980
Cr       1.05483000       6.74924000       3.20405000       0.23568816       0.54459451      -1.64706754
O       -0.00581000       1.66578000       1.00640000       1.29252551       0.79310964      -0.28784116
O        2.01064000       4.91831000       4.65746000      -0.32182428       0.56975760       0.62263813
O        2.37745000       6.79367000       1.62509000       0.05004578       0.36375124      -0.01055921
O       -0.53169000      -0.70018000       4.42333000       0.08972596      -0.46724546       0.09075663
O        0.24542000       4.07980000       2.33979000       0.26011053       0.34844603      -0.02724000
O        1.85252000       2.39710000       3.68627000      -0.01526996      -0.47483016       1.10320078
O        1.86865000       4.10675000       0.23586000      -1.92905025      -0.19178199      -1.34096160
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.040598 magmom=21.9942004 free_energy=-98.04176802 stress="-0.03704578248705401 0.031650724808778834 0.038691438113138146 0.031650724808778834 -0.06603809901256051 -0.040010997169582466 0.038691438113138146 -0.040010997169582466 -0.06866213158513716" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.33793000       5.31851000       0.73717000       0.25486293       0.73419581      -0.66910633
Cr       1.29339000       0.81208000       5.04096000       1.14572750      -0.25953463      -0.49173143
Cr       1.77043000       2.87793000       1.78063000      -1.32508518      -1.02996514       0.60993492
Cr       0.47291000       3.79707000       4.27162000       0.07914501      -1.92336771      -0.99385612
Cr       0.39543000       8.07307000       0.02984000      -0.48362141       1.09182429       3.05971833
Cr       1.12142000       6.70999000       3.23422000      -0.94614906       0.58563803      -0.84423412
O       -0.00818000       1.65794000       0.96882000       1.10002080       1.22223680       0.38513517
O        2.04935000       4.99029000       4.69270000      -1.49617078      -1.96218716      -0.79663559
O        2.30274000       6.81208000       1.61734000       0.68904306      -0.62574899      -0.71414877
O       -0.60204000      -0.78258000       4.50806000       1.05423334       1.01243425      -1.36524395
O        0.26768000       4.11872000       2.15767000       0.35467507      -0.39006190       2.78439708
O        1.79491000       2.39325000       3.89778000       1.01785065       0.25340558      -2.04825871
O        1.84793000       4.10037000       0.09734000      -1.44453193       1.29113078       1.08402952
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.93912316 magmom=21.9979878 free_energy=-98.93939896 stress="-0.06067413120874321 0.03764611002742202 0.04185555018679249 0.03764611002742202 -0.055632409874695386 -0.049861136888959906 0.04185555018679249 -0.049861136888959906 -0.03605587374078353" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.42427000       5.38391000       0.71872000      -1.73407560       0.17504157       1.42822451
Cr       1.27231000       0.90646000       4.94301000       0.57249077      -0.94479363       0.62750000
Cr       1.77246000       2.84526000       1.81440000       0.60661248       0.52237752      -0.06120010
Cr       0.41180000       3.60361000       4.28988000      -0.77406816      -0.26091460      -0.65382596
Cr       0.10433000       0.02811000       0.18753000      -0.34116408      -0.06109353      -1.06121348
Cr       1.17905000       6.71035000       3.19281000      -1.09783392      -0.09213332      -0.83081293
O        0.26387000       1.86885000       0.91049000      -0.26550879      -0.22990399       0.58042794
O        1.84419000       4.78202000       4.69103000       0.80645120       1.02658902       1.83616745
O        2.40968000       6.69367000       1.55830000      -0.79182871       2.38465620       1.16046515
O       -0.60678000      -0.73201000       4.40135000       0.80776632       0.17664829       0.51342666
O        0.39505000       4.07769000       2.42196000      -0.80778163       0.36598675      -0.75836946
O        1.86561000       2.39009000       3.81359000       0.28269495      -0.82322962      -1.84213982
O        0.44468000       2.38398000       5.99645000       2.73624517      -2.23923065      -0.93864995
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.05053074 magmom=22.0014324 free_energy=-99.05053893 stress="-0.03847163200348205 0.003534297078416088 0.014643325695443826 0.003534297078416088 -0.038026291495614865 -0.016499414812831605 0.014643325695443826 -0.016499414812831605 -0.07463744687542005" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.41685000       5.42408000       0.77196000      -0.33040552      -1.22331076       0.11313377
Cr       1.31134000       0.93627000       4.87236000       0.94158955      -2.50914630       0.49594512
Cr       1.80496000       2.82043000       1.82576000       1.27578931       2.69164918      -1.98792267
Cr       0.33077000       3.43945000       4.26981000       0.54403945       2.00772972      -0.09395159
Cr      -0.00952000       0.11451000       0.28656000       0.22476303      -0.18133015      -1.67803168
Cr       1.19721000       6.72774000       3.13256000      -1.32096898       0.39113714       0.17015880
O        0.40989000       1.99260000       0.90219000      -1.69828976      -1.61404767      -0.24315327
O        1.76627000       4.64963000       4.97916000       0.90361121      -0.26065287       0.43261783
O        2.50325000       6.82459000       1.66499000       0.14969458       1.36428828       0.42339152
O       -0.58030000      -0.66310000       4.31089000       0.53743209      -0.58806723       1.24730461
O        0.40947000       4.12269000       2.48540000      -0.32991456       0.26749096      -1.50799277
O        1.93263000       2.22646000       3.54235000      -0.42835810      -0.29344379       1.41730452
O        0.54104000       2.36088000       5.86713000      -0.46898227      -0.05229650       1.21119583
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.34081827 magmom=22.001487 free_energy=-99.34579575 stress="-0.03481646193423222 0.006188857533727408 0.012224817985560259 0.006188857533727408 -0.0533985494291392 0.001479563057671101 0.012224817985560259 0.001479563057671101 -0.06678604932243436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.35324000       5.40059000       0.82384000      -0.20877126      -0.12328552       0.35822855
Cr       1.39273000       0.84281000       4.85977000       0.06200206      -0.52374536       1.69987679
Cr       1.87073000       2.88444000       1.73832000      -1.47834949       1.07033450      -0.73434283
Cr       0.30149000       3.43868000       4.24943000       1.02724503       0.62296083       0.34099331
Cr       2.91699000       0.17535000       0.27239000       0.23556023      -2.50663844      -1.88816567
Cr       1.16736000       6.78093000       3.10258000      -0.28480100       0.83955386       0.56085548
O        0.24034000       1.88715000       0.88970000       0.93963265       1.21998158       0.47074041
O        1.89291000       4.50217000       5.26231000      -0.10676104       1.16440672      -2.52164116
O        2.65930000       7.01706000       1.81553000      -0.09999948      -0.11107299      -0.88535755
O       -0.57547000      -0.72533000       4.37382000       0.65303747      -1.50501668       0.92237559
O        0.36437000       4.18673000       2.28732000       0.03555612      -1.55977071       2.21999906
O        1.88939000       2.10689000       3.54194000      -0.00065704       2.10809435      -0.72222551
O        0.63575000       2.34307000       5.94762000      -0.77369424      -0.69580215       0.17866354
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.01732874 magmom=21.9980108 free_energy=-100.01743909 stress="-0.05600216636864809 0.011457437152487003 0.005613653428240064 0.011457437152487003 -0.06086888572328867 -0.006993688376506862 0.005613653428240064 -0.006993688376506862 -0.05623830195138496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26506000       5.37101000       0.86697000       0.37508871       0.27722659       0.09093418
Cr       1.48498000       0.74675000       4.91488000       0.47842765       1.73960794       0.97301098
Cr       1.84559000       2.96100000       1.63927000      -2.03961529      -0.36756704       1.75869128
Cr       0.33589000       3.48916000       4.24434000       1.16919680      -0.71420826       0.54359008
Cr       2.90521000       0.12741000       0.18418000       0.37155528      -2.01853898      -0.31070882
Cr       1.14853000       6.88014000       3.10451000       1.23892949       0.02594766       0.81166126
O        0.18292000       1.90057000       0.88024000       1.17605952       0.10261082      -0.40636490
O        2.00395000       4.50292000       5.19885000      -1.17659892       0.72167297      -0.61789638
O        2.80085000       7.05853000       1.80427000      -1.98720995       0.32591997      -0.56570226
O       -0.58917000      -0.96608000       4.50553000       0.71894260       0.27659562      -0.94043452
O        0.32623000       4.06866000       2.37436000       0.03826963       0.75692014       0.30708569
O        1.81416000       2.28227000       3.56829000       0.17248546      -0.29206182      -0.02982381
O        1.77094000       4.16039000       0.06410000      -0.53553098      -0.83412561      -1.61404278
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.29021798 magmom=22.0008513 free_energy=-100.29025581 stress="-0.05148672419699311 -0.0020945816500083083 0.0029662218748561084 -0.0020945816500083083 -0.058602058568997445 -0.005175878690490002 0.0029662218748561084 -0.005175878690490002 -0.055119158489470826" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17740000       5.36191000       0.89361000       0.55758258       0.16659228      -0.82551821
Cr       1.62430000       0.74635000       5.00186000       0.53970518       1.70148733      -0.00495540
Cr       1.72235000       2.97415000       1.65721000       0.42258618      -0.83854943       1.06203833
Cr       0.41864000       3.51700000       4.26882000      -1.20262309       0.13710865       1.05744410
Cr       2.94337000      -0.01116000       0.08910000       0.29057396       0.59568133       0.78373209
Cr       1.18398000       6.98299000       3.12557000      -1.14350911      -0.46673483      -1.71476664
O        0.25611000       1.93151000       0.77927000      -0.65965007      -0.68475715       0.91019132
O        1.92096000       4.56072000       5.11986000      -0.26475042      -1.18661716      -0.04352666
O        2.69861000       7.03218000       1.72965000      -0.56257585       0.90253700       0.96758517
O       -0.60771000      -1.10786000       4.41955000       1.39554103       1.50258017       0.10237887
O        0.27300000       4.10741000       2.42027000      -0.13917723       0.29429710      -0.34939530
O        1.77298000       2.37575000       3.63639000       1.16103340      -1.66215449      -0.92274136
O        1.72039000       4.12133000       0.02409000      -0.39473657      -0.46147080      -1.02246629
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.14711864 magmom=22.001524 free_energy=-100.15224615 stress="-0.053040860974221005 -0.016669045773907726 0.0005772252434555061 -0.016669045773907726 -0.043287193933319444 0.004445428036793882 0.0005772252434555061 0.004445428036793882 -0.07679429374557005" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09179000       5.37442000       0.87541000       0.43136605      -0.49972228      -0.47577247
Cr       1.83525000       0.84900000       5.08779000       0.02555648       0.46575743      -0.82615096
Cr       1.61039000       2.90354000       1.75391000       0.90619914      -0.39461594      -0.78783147
Cr       0.44155000       3.53050000       4.31960000      -1.85832384      -1.90062839      -1.58660706
Cr       0.21822000       7.97918000       0.02280000       0.14548124       2.87482506       0.57695520
Cr       1.16924000       7.06335000       3.06182000      -1.19826266      -0.07050997      -0.65943116
O        0.16598000       1.84789000       0.77969000      -0.40238351      -0.55325622       1.63163893
O        1.82550000       4.44099000       5.18189000       1.43260634       0.61287953      -0.88193186
O        2.58147000       7.02738000       1.74598000       0.71159377       0.93546479      -1.06318359
O       -0.54405000      -0.97392000       4.29941000       0.18882066       0.15919818       2.00986428
O        0.17870000       4.22386000       2.33415000       0.18023101      -2.01129217       2.11411819
O        1.88413000       2.21951000       3.62894000      -0.21782575       1.02168140      -0.65709058
O        0.49503000       2.28181000       5.90448000      -0.34505893      -0.63978143       0.60542256
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.35292961 magmom=21.9985396 free_energy=-100.35827862 stress="-0.045832959573042356 -0.004411013553843514 0.00898035010822697 -0.004411013553843514 -0.06566058160146634 -0.0137671851615125 0.00898035010822697 -0.0137671851615125 -0.060992415006783755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01627000       5.35277000       0.85717000       0.62142310      -1.66251849       0.97811361
Cr       2.04918000       0.97031000       5.14632000      -1.30722617      -1.23196448       0.28742369
Cr       1.55410000       2.79437000       1.80769000       0.28951313      -0.11933370      -1.28587410
Cr       0.37142000       3.46641000       4.28193000       0.85865554      -0.99126779      -0.40618136
Cr      -0.86443000       6.16350000       6.00440000      -0.14597901       2.00269994       0.26618414
Cr       1.10228000       7.13264000       2.96903000       0.89642423       0.52317135       1.37137389
O       -0.00180000       1.73829000       0.94137000       0.78020458       0.55859330      -0.24127513
O        1.96568000       4.40335000       5.17614000      -0.95830039       0.74968177      -1.16856576
O        2.66104000       7.06804000       1.64863000      -0.88951736       0.65973253       0.17922328
O       -0.53756000      -0.76539000       4.41098000      -0.01550074      -1.36427936      -1.11904793
O        0.11032000       4.07556000       2.43037000       0.17803654       0.24733255      -0.44432703
O        1.95319000       2.19223000       3.59769000      -0.80637256       0.29677897       0.63199706
O        0.40511000       2.22320000       5.91947000       0.49863909       0.33137343       0.95095564
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.10172273 magmom=21.9980212 free_energy=-100.10787206 stress="-0.06821863558052987 -0.009839573830585757 -0.007533331383885339 -0.009839573830585757 -0.07565236382582971 -0.03409741414321854 -0.007533331383885339 -0.03409741414321854 -0.06477182073608248" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03335000       5.27355000       0.88597000       0.76280161       1.05319404      -0.15023579
Cr      -0.81958000       1.00363000       5.20699000      -1.56293390      -1.59738155       0.03224345
Cr       1.52568000       2.68073000       1.79823000       0.82582564       1.13202069      -0.01106566
Cr       0.34121000       3.39307000       4.22088000       0.70454891       1.31951886       1.48071437
Cr      -1.02504000      -1.79650000       5.97916000      -0.40933199      -1.18430347      -0.08016460
Cr       0.88945000      -0.88034000       2.95385000       1.12770835       0.24465393       0.78458920
O        0.01840000       1.76176000       0.97020000       0.67744224      -0.46334469      -0.64601132
O        1.96541000       4.47607000       5.08681000      -0.83771904      -0.28742014       0.06489459
O        2.72038000       7.08928000       1.60052000      -1.25720009       0.39748375       0.04925364
O       -0.61997000      -0.69305000       4.34063000       0.22620156      -1.09394256      -0.71068146
O        0.09316000       3.95911000       2.37890000       0.01393099       0.12548795       0.11850141
O        1.86936000       2.19091000       3.72275000      -0.53092160      -0.26279981      -1.05164196
O        1.57497000       4.02960000       0.07239000       0.25964733       0.61683300       0.11960414
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.21526341 magmom=21.9996726 free_energy=-99.22348816 stress="-0.08096984650495283 -0.020822212998802984 -0.030540879397907644 -0.020822212998802984 -0.07800800223735234 -0.03326388608353859 -0.030540879397907644 -0.03326388608353859 -0.092782718528107" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.94294000       5.25815000       0.91364000       1.37810365       1.86878052      -0.07647847
Cr      -0.80273000       0.93429000       5.25896000      -0.61558060       1.20753853      -1.73837176
Cr       1.55837000       2.59721000       1.79339000       2.01615491       1.66998700       0.49383010
Cr       0.34164000       3.41924000       4.23800000      -1.13448319       0.67836971       0.79360975
Cr      -1.03450000      -1.71384000       5.93959000      -0.74363011      -4.53656233      -0.90600299
Cr       0.91678000      -0.76709000       2.96919000      -1.21888245      -0.50132820      -2.00829586
O        0.19393000       1.75654000       0.80803000      -1.01792491      -0.22338946       2.01061743
O        1.80132000       4.47513000       5.07422000       0.49797625       0.05024081       0.24005589
O        2.66306000       7.06881000       1.60903000      -0.31409464       1.07765483      -0.22161275
O       -0.68654000      -0.71083000       4.18157000       1.78415240      -0.36061804       2.34102867
O        0.09283000       3.87077000       2.28322000       0.16297729      -0.26029974       1.80473660
O        1.72011000       2.10827000       3.76758000       0.69585299       0.21666683      -1.11043462
O        1.65852000       4.07009000       0.22857000      -1.49062160      -0.88704046      -1.62268197
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.70741478 magmom=21.9995572 free_energy=-99.71172619 stress="-0.05569672928159607 -0.028749927075455678 -0.0015290927468263307 -0.028749927075455678 -0.06287037281801285 -0.027059697836779223 -0.0015290927468263307 -0.027059697836779223 -0.07207412868272957" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00816000       5.36404000       0.95541000       0.64845876      -1.87224552       0.53073996
Cr      -0.85906000       0.86946000       5.22414000      -0.66458346       2.05192055      -0.37487101
Cr       1.75167000       2.55770000       1.82409000      -0.67541351       1.11131471      -0.90959562
Cr       0.26216000       3.53466000       4.32779000      -0.65939923      -3.51858533      -0.14149896
Cr       2.05977000       6.23264000       5.83396000      -0.45086544      -0.26838400       1.24680400
Cr       0.90932000      -0.62427000       2.88984000       0.15065405      -0.37922620       0.80634249
O        0.28297000       1.67101000       0.83173000      -0.23446160      -0.57728665       1.22446145
O        1.70083000       4.41257000       5.16781000       1.04456654       0.92876795      -0.34770035
O        2.58559000       7.14121000       1.62273000       0.05269401       1.01020180      -0.56408766
O       -0.53901000      -0.73362000       4.31572000      -0.03768799      -1.64643370      -1.62085302
O        0.14743000       3.73366000       2.46731000       0.77805935       2.21608746      -1.32080456
O        1.67438000       2.03188000       3.64885000       0.19716276       0.33603410       1.08525259
O        1.53776000       4.03743000       0.08514000      -0.14918423       0.60783483       0.38581069
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.73488001 magmom=22.000076 free_energy=-98.73828562 stress="-0.05545069656280432 -0.01249094890050714 0.01888537890715925 -0.01249094890050714 -0.06588511815088895 -0.022428480676529416 0.01888537890715925 -0.022428480676529416 -0.05318088197258508" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07574000       5.40652000       1.02603000       0.38263356      -2.15468539       0.85565152
Cr       2.02990000       0.87576000       5.15474000      -0.26124781      -1.65556508       1.64072130
Cr       1.94558000       2.56779000       1.83889000      -2.00065132       0.98323672      -0.11324994
Cr       0.15298000       3.52157000       4.40022000       2.11808126      -3.71268822      -2.12542997
Cr       1.94035000       6.05905000       5.77670000       0.71129532       5.85917996       1.65917767
Cr       0.89728000      -0.50534000       2.82410000       0.72780693      -0.39583124       1.37424866
O        0.31216000       1.55229000       0.98961000       0.86053569       0.47315161      -0.97093710
O        1.75347000       4.37391000       5.24455000      -1.85728562      -1.79966421      -1.10869456
O        2.60490000       7.29447000       1.59351000      -0.58535793      -0.93357870      -0.64478057
O       -0.43141000      -0.81194000       4.31755000      -0.68201117      -0.62889970      -0.72663638
O        0.30631000       3.89960000       2.48008000       0.02341621       0.75198795      -0.41723956
O        1.69814000       1.99408000       3.69309000       0.05962572       1.80953581      -0.84748763
O        0.25730000       2.15986000       5.95529000       0.50315916       1.40382049       1.42465656
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55757368 magmom=22.0023338 free_energy=-99.56455991 stress="-0.03572812752779872 -0.022941154491223997 -0.003783303096117679 -0.022941154491223997 -0.037480751204580304 0.0028190472581885277 -0.003783303096117679 0.0028190472581885277 -0.054731412018866485" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12732000       5.34414000       1.10960000      -0.23240086       0.97006285      -2.66111204
Cr       1.94663000       0.82679000       5.17530000       0.09506450       0.25130392       0.86375131
Cr       2.00760000       2.62965000       1.83323000      -1.42217456       1.38507180      -1.05125197
Cr       0.16281000       3.35216000       4.35189000       0.93123731       0.06018854      -0.11976513
Cr       1.88192000       6.14274000       5.81098000       0.57092864       0.69362630      -0.22012233
Cr       0.91379000      -0.45827000       2.82929000       0.46068355      -0.99713200       0.10539184
O        0.40948000       1.59982000       0.91931000       0.11590653       0.30037762      -0.23261005
O        1.61987000       4.24887000       5.21876000       0.90107212       1.49548358      -0.08277074
O        2.64031000       7.25778000       1.54513000      -0.74117775      -0.22036465       0.45588749
O       -0.54469000      -0.79088000       4.19345000      -0.46752661      -0.26982637       0.26529305
O        0.39842000       4.10277000       2.40745000      -0.02432374      -2.99189554       2.66051932
O        1.74976000       2.14719000       3.71017000      -0.51529983      -0.57735966      -0.56778383
O        0.23347000       2.18322000       5.98822000       0.32801070      -0.09953638       0.58457307
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.24942089 magmom=21.9996504 free_energy=-99.25702795 stress="-0.055396109191559115 -0.012651577826593636 -0.02863117600423795 -0.012651577826593636 -0.06221074248370408 0.000666304161564258 -0.02863117600423795 0.000666304161564258 -0.08349360925214669" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15621000       5.29604000       1.08374000       0.15041136       0.88486009      -1.07066354
Cr       1.90190000       0.79196000       5.24635000      -0.21343447       3.03406030      -1.89715335
Cr       1.99061000       2.75288000       1.77219000      -1.60065780       0.07580981      -0.03052040
Cr       0.24342000       3.20937000       4.30157000       0.14996124       2.48183787       2.98672651
Cr       1.86539000       6.25743000       5.85379000       0.25195637      -1.31948244      -0.07863549
Cr       0.93316000      -0.49259000       2.83784000      -2.07182291      -0.68204134      -1.38326345
O        0.45347000       1.73500000       0.77479000      -0.03542514      -1.33991483       2.62180285
O        1.64838000       4.36815000       5.22004000       0.74404953      -0.82855724      -0.63082849
O        2.64472000       7.16603000       1.58856000      -0.55613240       0.69318849      -0.28933956
O        2.20300000      -0.68629000       4.13593000       2.34546870      -1.59100406       1.70542088
O        0.39540000       3.92202000       2.57033000      -0.11773052       0.58942632      -1.91614451
O        1.73070000       2.16201000       3.66081000       0.42491595      -2.12018828      -0.22967592
O        1.40273000       4.01437000       0.05801000       0.52844009       0.12200530       0.21227446
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.64401435 magmom=22.0017412 free_energy=-99.64943607 stress="-0.06228810902269284 -0.008613986049246439 -0.006338424845401414 -0.008613986049246439 -0.058042833750479854 -0.00876232053179639 -0.006338424845401414 -0.00876232053179639 -0.06637171834831958" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17463000       5.30230000       0.96905000       0.32498014       1.21382330       0.68663946
Cr       1.88890000       0.87924000       5.25409000       0.10631500      -0.46428046      -0.05064276
Cr       1.88533000       2.86000000       1.71370000      -1.88156685      -3.34022030       1.36330121
Cr       0.35397000       3.21796000       4.38221000       0.21457431       0.35622030      -1.31873250
Cr       1.68082000      -1.80942000       5.90251000       0.18148338      -0.82232237       0.02413679
Cr       0.86830000      -0.59404000       2.80347000       0.39738923       0.09560550       2.29034784
O        0.33111000       1.73191000       0.91761000      -0.08204449       0.00240150       0.44400384
O        1.89024000       4.37278000       5.18229000      -0.19816940      -0.74004748      -0.57834870
O        2.62691000       7.15602000       1.61151000      -1.26152487      -0.30099556      -1.28444369
O       -0.79249000      -0.70376000       4.31672000       1.01911579      -1.53544048      -1.20834751
O        0.33164000       3.80813000       2.45108000       0.47439489       2.23365786       0.97973872
O        1.75355000       1.84868000       3.63317000       0.12495396       2.69010083      -0.95406068
O        1.49645000       4.00882000       0.12497000       0.58009892       0.61149737      -0.39359203
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.07680625 magmom=22.0002211 free_energy=-100.08129697 stress="-0.05437248205288504 0.01513721551990331 0.02495141113096437 0.01513721551990331 -0.03912890023242062 0.0017517183958149544 0.02495141113096437 0.0017517183958149544 -0.05090394330512503" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19499000       5.36411000       0.87251000       0.68800400      -0.34883865       1.67893996
Cr       1.91274000       0.94100000       5.23528000      -0.03300910      -2.32453336       0.19651130
Cr       1.69577000       2.80367000       1.75526000      -0.25748941       0.06753007       1.16539861
Cr       0.48502000       3.27996000       4.38774000       0.46244311      -0.34898777      -3.06205817
Cr       1.71915000      -1.83586000       5.95478000       0.21288631      -0.43024961      -0.42600875
Cr       0.80452000      -0.71060000       2.86180000       0.24213097      -0.23586914       1.41363307
O        0.11508000       1.70659000       1.06013000       0.80982563       0.14372734      -1.12970934
O        2.07741000       4.27586000       5.13810000      -1.36718222       1.89169234      -0.51865068
O        2.51788000       7.10542000       1.52012000      -0.66927103       0.18056136       0.71170536
O       -0.69398000      -0.81919000       4.37447000       0.39685248       0.36547146      -1.30199786
O        0.27009000       4.05999000       2.35742000      -0.32284064      -0.91534844       1.51722320
O        1.81798000       1.89603000       3.57519000       0.04175947       2.15589691      -0.32708022
O        1.66214000       4.04263000       0.07434000      -0.20410957      -0.20105251       0.08209354
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.32888373 magmom=21.9935713 free_energy=-100.3347135 stress="-0.04591037757951536 0.014313011232525407 0.02273828730680727 0.014313011232525407 -0.038287147467780606 -0.01515730049654211 0.02273828730680727 -0.01515730049654211 -0.05675497681060658" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22090000       5.38428000       0.85864000       0.70656569      -0.60643496       0.54132686
Cr       1.95296000       0.88472000       5.21638000      -0.36402106       0.39353156      -0.47644281
Cr       1.53233000       2.73952000       1.83846000       0.90654317       1.33759456      -2.29496401
Cr       0.59376000       3.35543000       4.24895000      -2.66860661       2.22977978       1.49494597
Cr       1.96646000       6.22219000       5.98034000       0.06259577      -0.03425343      -0.42740874
Cr       0.76955000      -0.82519000       2.97748000       0.51955423      -0.42239848      -1.08589105
O        0.02559000       1.72877000       0.92788000       0.19629041       0.14404998       0.48908200
O        2.03944000       4.42339000       5.11597000       0.24701606      -0.08669944      -0.63523837
O        2.43071000       7.05365000       1.56607000      -0.04056078       0.52354702       0.29505992
O       -0.66992000      -0.78615000       4.25334000      -0.49554437      -0.46791367       1.23491785
O        0.17311000       4.17954000       2.43496000       0.35438286      -1.53582168       0.28798425
O        1.90641000       2.20247000       3.61755000       1.39481160      -1.65591698       0.55949419
O        1.76176000       4.05560000       0.01216000      -0.81902695       0.18093574       0.01713395
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05715929 magmom=21.9940328 free_energy=-100.06519761 stress="-0.04315730748553437 -0.0010800123578984632 -0.002237059056703969 -0.0010800123578984632 -0.05943914285957355 -0.02295062549448481 -0.002237059056703969 -0.02295062549448481 -0.07457471812336161" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24380000       5.34653000       0.87070000       0.27879821      -0.33067520      -0.11110916
Cr       1.97984000       0.85565000       5.17815000      -0.33732019       3.07999216      -0.11541748
Cr       1.45958000       2.73218000       1.80851000       1.92992383      -0.22620567      -0.95898873
Cr       0.56646000       3.51598000       4.20321000      -0.51501121      -0.69925138       2.44337503
Cr       2.01141000       6.19778000       5.98506000      -0.20734958       1.24695218       0.75507754
Cr       0.75846000      -0.93493000       3.03002000      -0.27833784       0.03605679      -0.82705848
O        0.00354000       1.78594000       0.81467000      -0.30413456      -1.01812993       1.44506483
O        2.02630000       4.52277000       5.09866000       0.40385353      -0.87831755      -0.36621188
O        2.47649000       7.03072000       1.67464000      -0.22684939      -0.02401084      -0.74552660
O       -0.78143000      -0.77609000       4.29328000       0.96257648      -1.73470020       0.38581222
O        0.16003000       4.06232000       2.42633000      -0.19975242       0.66597420      -0.88752086
O        2.11375000       2.24407000       3.76995000      -1.09242491      -0.30013547      -1.24162248
O        0.57460000       2.28205000       6.01750000      -0.41397195       0.18245093       0.22412608
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.49297221 magmom=21.997686 free_energy=-99.50144474 stress="-0.07810234819025016 0.016176289388780976 0.005757856412480738 0.016176289388780976 -0.06993965347219228 -0.014724738586074369 0.005757856412480738 -0.014724738586074369 -0.08463425551191267" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24515000       5.27812000       0.86803000      -0.61236450       1.27131502      -0.23202168
Cr       1.99696000       0.95728000       5.12401000      -0.37235020      -0.58449023       0.75580008
Cr       1.50503000       2.70333000       1.71078000       1.15121434       0.06529867       1.13563347
Cr       0.48358000       3.67149000       4.28688000       1.07203959      -3.16110640      -1.88474457
Cr       0.20060000       8.08951000       0.00087000      -0.52693417      -0.53628211       1.89885924
Cr       0.93706000       7.05353000       3.04449000       0.95536029       0.22585638       0.85599365
O       -0.02264000       1.75312000       0.88218000       0.56241425      -0.26160289      -0.59486096
O        2.05665000       4.49899000       5.13423000      -1.09702988       1.10651115       0.65441300
O        2.60168000       6.95462000       1.70140000      -1.82141753       0.41971751      -0.79407689
O        2.15428000      -0.93952000       4.42130000       1.16657457       1.10815453      -1.73646199
O        0.15629000       3.98523000       2.23258000      -0.39187676       0.24028663       2.02156272
O        2.12410000       2.20959000       3.72710000      -0.92390562       1.32802464      -1.29939848
O        1.64639000       4.29308000       0.03388000       0.83827564      -1.22168290      -0.78069760
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.33037876 magmom=21.9995519 free_energy=-99.34084282 stress="-0.06731049608385349 -0.005153569321138356 0.00029592004641989096 -0.005153569321138356 -0.07790063165924835 -0.028978656121456246 0.00029592004641989096 -0.028978656121456246 -0.08000004878738023" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17897000       5.25205000       0.86070000       0.54513084       0.47755585       0.25244002
Cr       1.99952000       1.07585000       5.04980000      -0.46585568      -1.32296817      -0.59043244
Cr       1.65524000       2.64639000       1.64765000      -0.76855990       2.05906665       1.17954153
Cr       0.40974000       3.70534000       4.30681000      -0.01717590      -1.01923817      -1.76829379
Cr       0.01850000       0.02117000       0.13721000      -0.16765483      -0.91679081      -0.69843561
Cr       0.96403000       6.91956000       3.11298000       0.47275673       0.29711313      -0.97809375
O        0.10728000       1.71250000       0.86358000       0.91133376       1.71185779      -0.23058355
O        1.92278000       4.59785000       5.30751000       0.29991260      -1.25532267      -1.92775317
O        2.57669000       6.87304000       1.66594000      -1.24368256       0.98209659       1.31512083
O       -0.74688000      -0.92488000       4.34194000       0.41145853       0.77778081       1.13809899
O        0.13424000       3.94289000       2.25346000       0.67446399       0.42302712       0.01920458
O        1.84568000       2.36507000       3.51020000      -0.09168427      -0.66606984       2.39126064
O        0.57573000       2.43419000       5.95199000      -0.56044331      -1.54810827      -0.10207427
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.97799874 magmom=22.0006434 free_energy=-98.98557929 stress="-0.07431486517419542 0.004434635631153008 0.012924956569182765 0.004434635631153008 -0.06494497993488635 -0.028815672074248257 0.012924956569182765 -0.028815672074248257 -0.08267730010556398" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08068000       5.26660000       0.87281000       0.27761721       0.15403394      -0.66846361
Cr       1.97833000       1.12476000       4.93263000      -0.16573562      -1.89766867       0.60846988
Cr       1.81199000       2.66287000       1.66333000       0.34517182       2.19754215       0.77047306
Cr       0.31681000       3.66587000       4.23002000      -1.45820701       0.19009431       0.83661865
Cr       0.01043000       0.02035000       0.26818000      -0.02704624      -0.10675072      -1.56085471
Cr       1.02766000       6.80014000       3.16868000      -0.10812576       1.05083640       0.16465155
O        0.38394000       1.86934000       0.74695000      -1.19659600      -0.72506384       0.19725490
O        1.80541000       4.55457000       5.23781000       0.22710543       0.60052821      -0.58864852
O        2.46894000       6.86561000       1.82082000       0.52601596       0.59643669      -0.69244581
O       -0.63652000      -0.72946000       4.34033000      -0.14038025      -1.11877599       0.96540835
O        0.23033000       3.99729000       2.29495000       0.21331363       0.19011349       0.00896275
O        1.55180000       2.45308000       3.60989000       2.78639205      -1.51902573      -1.38017670
O        0.61193000       2.24951000       5.77727000      -1.27952523       0.38769976       1.33875022
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.30524383 magmom=22.0029706 free_energy=-99.3126912 stress="-0.053439250672156616 -0.004315487868339765 0.00623263364373267 -0.004315487868339765 -0.06527734810396754 -0.019994345613409667 0.00623263364373267 -0.019994345613409667 -0.07271727857433481" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01220000       5.29902000       0.84986000       0.54036667      -0.44492933      -1.67213652
Cr       1.96298000       1.06453000       4.88649000      -0.45052669      -1.30879295       2.22663444
Cr       1.94005000       2.77461000       1.69835000      -1.56184439       1.13207653      -1.49222874
Cr       0.18695000       3.64237000       4.18886000       1.58550221      -1.35028225       0.34935979
Cr       0.00125000       0.02423000       0.29001000       0.12649335       0.26831816      -1.46011274
Cr       1.07941000       6.78223000       3.21372000      -0.16926238       0.94752508       0.42299257
O        0.39208000       1.92103000       0.72720000      -0.20609761      -0.97767989       1.28705774
O        1.77951000       4.53915000       5.11910000      -0.94018854       1.10836209       0.63980776
O        2.57172000       6.83191000       1.88859000      -0.06003928       1.39434878      -0.73040838
O       -0.63067000      -0.73788000       4.43001000       0.42856812      -2.21805679       0.03949294
O        0.33880000       4.08735000       2.27115000       0.28667696      -0.34447092       0.86086750
O        1.73737000       2.32598000       3.54578000       0.06116855       0.90394675      -0.57070990
O        0.44620000       2.14159000       5.87326000       0.35918303       0.88963473       0.09938354
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55122855 magmom=21.9976617 free_energy=-99.56130507 stress="-0.056428650016661135 -0.0259151305423917 -0.008341345015586936 -0.0259151305423917 -0.0676931010551418 -0.024090450502721503 -0.008341345015586936 -0.024090450502721503 -0.057067806072682394" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90604000       5.32943000       0.75624000       0.71771839       0.02232690       0.50238632
Cr       1.96220000       0.92848000       4.96308000       0.23715382      -0.48674351       0.53936089
Cr       1.97174000       2.91837000       1.65541000      -2.85903526      -0.21012827       0.29397349
Cr       0.13174000       3.59103000       4.18314000       1.86642537       0.24948630       0.95787462
Cr       0.00388000       0.04925000       0.22917000      -0.13151417      -1.32000902      -0.21591392
Cr       1.11924000       6.84140000       3.26043000      -0.05367088      -0.20153856      -1.69138670
O        0.28182000       1.82436000       0.89112000       1.34291615       0.73445867      -0.39126781
O        1.66141000       4.59729000       5.13850000      -0.18104733      -0.41669424      -0.58100675
O        2.76902000       6.88463000       1.83377000      -1.11984425       1.45763942       0.19411027
O       -0.64249000      -1.01630000       4.49133000       1.09410420       0.60298469       0.74945792
O        0.41693000       4.13508000       2.32240000      -0.28368404       0.27436178      -0.09110909
O        1.99565000       2.25931000       3.44923000      -1.28360234      -0.73896551       0.87167947
O        0.32427000       2.19416000       5.98822000       0.65408034       0.03282136      -1.13815872
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56720122 magmom=22.0040896 free_energy=-99.57733241 stress="-0.04469584618220389 -0.03715550849211343 -0.006672183004806458 -0.03715550849211343 -0.037942014744695496 0.0035516097764294627 -0.006672183004806458 0.0035516097764294627 -0.058736172665539876" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.88347000       5.37827000       0.69248000       0.69661993       0.16448951       2.52428390
Cr       1.99816000       0.77434000       5.07380000       0.37445434       1.06635094      -0.14378196
Cr       1.85488000       3.00254000       1.63585000      -0.79977730      -1.56914947       1.56147679
Cr       0.17322000       3.55063000       4.21357000       0.44254844      -1.01127093      -0.21714280
Cr       0.00681000       0.02142000       0.16847000      -0.26725941      -0.74042238       1.22953615
Cr       1.16018000       6.90476000       3.22448000       0.46832009      -0.13438079      -1.43723372
O        0.31660000       1.83917000       0.94419000       0.05714906       0.73891541      -0.37860854
O        1.56040000       4.55014000       5.15196000       0.91900276       0.88975169      -1.45751538
O        2.81838000       7.05095000       1.78859000      -1.18608946      -0.15530069       0.55704200
O       -0.56799000      -1.12383000       4.54486000       0.87078822       1.07823666      -1.27866435
O        0.37967000       4.22554000       2.31005000      -0.53742286      -0.40732639       0.32844495
O        2.01288000       2.11860000       3.57770000      -1.17976762       1.07618804      -0.98222864
O        0.34558000       2.30245000       5.92338000       0.14143380      -0.99608159      -0.30560838
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74984209 magmom=21.9996874 free_energy=-99.75397602 stress="-0.04792117731168931 -0.029720676666860523 0.002790787271485319 -0.029720676666860523 -0.03919694166342438 -0.0035414022189182107 0.002790787271485319 -0.0035414022189182107 -0.07451737082543754" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90277000       5.46265000       0.75065000       0.22913470      -1.05860711       0.40636450
Cr      -0.89803000       0.67213000       5.17058000      -0.55733233       4.18556843      -3.02883832
Cr       1.66776000       2.98239000       1.72820000       1.16213773       0.14683630       0.20243695
Cr       0.24872000       3.45006000       4.22230000      -0.06123192      -0.34496378      -0.03766619
Cr       0.00794000      -0.03982000       0.15355000       0.51509295       1.45408581      -1.01448267
Cr       1.23087000       6.97908000       3.09334000      -0.33246077       0.07847831       0.03620230
O        0.30724000       1.94912000       0.86450000      -1.20667626      -2.35139458       2.57795053
O        1.69021000       4.57060000       5.03814000       0.44029950      -0.07123062      -0.34238681
O        2.69207000       7.12596000       1.79770000       0.24266997       0.18065060      -0.55448452
O       -0.45155000      -0.99592000       4.39048000      -0.00730649      -1.33395023       0.99502464
O        0.18588000       4.25023000       2.29016000       0.00354793      -1.11766559       1.18725382
O        1.79553000       2.15005000       3.65839000      -0.22186962       1.05399859      -1.40455951
O        0.41050000       2.32069000       5.84391000      -0.20600539      -0.82180614       0.97718529
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65391036 magmom=21.9988712 free_energy=-99.65392014 stress="-0.06010434538853559 -0.0006370723219580761 0.028659221164438555 -0.0006370723219580761 -0.0768032955933144 -0.02782679964318701 0.028659221164438555 -0.02782679964318701 -0.058385770117711115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93443000       5.49019000       0.83697000       0.54210201      -2.96737276      -1.26328820
Cr      -0.80702000       0.74505000       5.16228000      -0.69651784       1.75697787      -0.03302659
Cr       1.53538000       2.93331000       1.82964000       0.19490367      -0.32711857      -3.27259336
Cr       0.29514000       3.34899000       4.22568000      -1.66319213       2.84118348       1.92722050
Cr       0.02469000      -0.02803000       0.09408000       0.39701060       1.17033651      -1.64912726
Cr       1.27639000       7.06693000       2.97529000      -1.23474950       0.15217235       1.47754732
O        0.08053000       1.78269000       0.97291000       0.02732245       0.50917769       0.25012388
O        1.93808000       4.55669000       4.98584000      -1.19847835      -0.80099831       0.62769117
O        2.68513000       7.11562000       1.69397000       0.59641041       1.40808052       0.33688150
O       -0.43797000      -0.94366000       4.32042000       0.02332419      -0.76057524       0.53665015
O       -0.01848000       4.13520000       2.35929000       1.04577347       0.13969721       0.53367930
O        1.63150000       2.30371000       3.57811000       2.38836059      -2.84640071       0.34844334
O        0.42942000       2.25817000       5.95549000      -0.42226957      -0.27516004       0.17979824
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.29840365 magmom=22.0005317 free_energy=-100.29913152 stress="-0.03900356740244852 -0.005194793702484665 0.0032718299480506315 -0.005194793702484665 -0.056713665310275885 -0.011881918043776264 0.0032718299480506315 -0.011881918043776264 -0.051308241664987854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01745000       5.38848000       0.86767000       0.31854925      -0.85193867       0.80317457
Cr      -0.76334000       0.88101000       5.14479000      -0.94156053      -1.21388832      -0.27763847
Cr       1.45027000       2.85588000       1.78211000       0.85198911      -0.72422926      -0.27144621
Cr       0.27583000       3.38197000       4.29050000       1.00422042      -0.24749286      -0.34887382
Cr      -1.09618000      -1.81868000       5.99170000      -0.10529025      -0.52402913      -0.10031244
Cr       1.26098000       7.15374000       2.95359000       0.13586817       0.23227601       0.30254261
O       -0.09016000       1.71777000       1.02701000       1.01425636       1.28187158      -0.72172828
O        1.94163000       4.42063000       5.15558000      -1.33324984       0.51621387      -0.73357528
O        2.83749000       7.16355000       1.61549000      -1.15428104       0.14672494       0.68979164
O       -0.50586000      -0.92752000       4.32182000       0.51739626       0.20641814      -0.06158974
O       -0.01468000       4.06590000       2.42211000       0.33759275       0.03804098       0.34382219
O        1.80597000       2.10846000       3.60598000      -0.48317129       0.69328794       0.43470244
O        1.52188000       4.04374000       0.07204000      -0.16231936       0.44674478      -0.05886922
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61591417 magmom=22.0042432 free_energy=-99.62140339 stress="-0.06181890183901503 -0.013653320492891318 -0.022890184580079475 -0.013653320492891318 -0.07087320317612764 0.007754490896138784 -0.022890184580079475 0.007754490896138784 -0.09842771461816603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02004000       5.25830000       0.93074000       0.08578330       1.36257105       1.11866378
Cr      -0.78478000       0.93471000       5.12782000      -0.64863361      -1.69817109       1.35628376
Cr       1.42343000       2.74023000       1.72475000       1.83405674       0.61564875       1.68776379
Cr       0.29318000       3.42990000       4.33283000      -0.18433875      -0.59376960      -0.21824641
Cr      -1.08303000      -1.78145000       5.88753000      -0.65595851      -1.75556896       1.80437433
Cr       1.05798000      -0.85750000       2.95737000      -0.02335913       0.02633880      -0.31339907
O       -0.03737000       1.83944000       0.86424000       0.10669910      -1.09874553      -0.39727244
O        1.74019000       4.37129000       5.27642000       0.78982644       0.94900539      -1.63938818
O        2.84449000       7.13750000       1.65450000      -1.19192415       0.24689945      -0.68336105
O       -0.55102000      -0.79697000       4.30380000       1.20465705      -0.56029498      -0.19358549
O        0.08082000       4.02369000       2.44846000      -0.27274166      -0.59633792       0.55508759
O        1.92567000       2.03768000       3.73596000      -1.26376485       2.76964101      -2.74791873
O        1.46150000       4.03845000       0.16192000       0.21969804       0.33278362      -0.32900189
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.52292697 magmom=21.9976689 free_energy=-99.53011097 stress="-0.06514422240656878 -0.014814276267586891 3.974218520814906e-07 -0.014814276267586891 -0.08850450011509743 -0.017777239094762354 3.974218520814906e-07 -0.017777239094762354 -0.08757787019132617" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03995000       5.20210000       1.05700000       0.34251820       1.61284769      -0.87245459
Cr      -0.87981000       0.91927000       5.11949000      -0.59206185       3.39141917      -1.56326146
Cr       1.50859000       2.62664000       1.76682000       1.22384494       1.31226206      -1.00244125
Cr       0.30252000       3.46791000       4.35648000      -0.38533580      -0.24393818      -0.16438242
Cr      -0.91812000       6.25896000       5.87672000      -0.19090410      -0.95233758       0.45425940
Cr       1.04482000      -0.75919000       2.94045000      -0.60030045      -0.39738872      -0.66209462
O        0.09481000       1.79741000       0.63331000      -0.60592460      -1.14064334       3.43105923
O        1.72499000       4.46474000       5.17979000       1.08323868      -0.31925472      -0.03548806
O        2.70423000       7.05621000       1.64682000       0.11486857       1.04939038      -0.29123038
O       -0.47896000      -0.67386000       4.24054000       0.45026053      -2.03591426       0.00085488
O        0.16176000       3.90165000       2.47173000      -0.12698982       0.34930226      -0.45343789
O        1.84791000       2.33144000       3.61321000      -0.68987979      -2.19468149       2.05703429
O        1.48106000       4.12673000       0.15324000      -0.02333450      -0.43106326      -0.89841711
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.39651835 magmom=22.0008036 free_energy=-99.40238658 stress="-0.06989357873920614 0.02392371099564606 0.02630842090240542 0.02392371099564606 -0.09300425980850763 -0.022955020559241455 0.02630842090240542 -0.022955020559241455 -0.06814528987165208" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05352000       5.23135000       1.15085000       0.64937403       0.32244566      -2.39459193
Cr       1.95647000       1.00980000       5.05296000      -0.17686662      -1.86400272       2.45320905
Cr       1.69623000       2.53920000       1.79128000      -0.20357091       0.91908027      -0.47557424
Cr       0.29103000       3.51887000       4.35758000       1.25455369      -0.88551164      -0.95748637
Cr       2.01497000       6.14009000       5.91107000       0.38812892       2.26195315       0.28311358
Cr       1.00004000      -0.67086000       2.88381000       0.00497020      -0.62531610      -0.05183924
O        0.16544000       1.63257000       0.81449000       0.23323392       0.60169011       0.12598622
O        1.93754000       4.49860000       5.08292000      -2.35508236      -0.41540108       0.16690459
O        2.63354000       7.04850000       1.61453000       0.14113838       1.11131068      -0.21361146
O       -0.43968000      -0.71924000       4.17823000      -0.87711434       0.13626817       1.35928116
O        0.22098000       3.83506000       2.36296000      -0.18458431      -0.56671932       1.30644404
O        1.66596000       2.31733000       3.79237000       1.30956540      -0.37164791      -1.97450616
O        0.41321000       2.35932000       6.01582000      -0.18374602      -0.62414928       0.37267077
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56872147 magmom=22.0006418 free_energy=-99.56957119 stress="-0.06633303798112693 -0.00898028005977005 0.004485802524325538 -0.00898028005977005 -0.07615502002461876 -0.022004074770730797 0.004485802524325538 -0.022004074770730797 -0.0684348740997432" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07771000       5.27648000       1.12829000       0.37252642      -0.70658661      -1.73125991
Cr       1.80666000       0.99883000       5.12698000       0.04505259      -1.20580425       1.52600625
Cr       1.86844000       2.49386000       1.78466000      -2.14759324       1.57942775       0.63725390
Cr       0.33247000       3.53938000       4.29731000      -0.27710207      -1.84280696      -0.27284808
Cr       1.97940000       6.12256000       5.95921000       0.69620529       2.86819005      -1.35820505
Cr       0.94711000      -0.63540000       2.83919000      -0.02633216      -0.30045207       1.50836331
O        0.27664000       1.56319000       1.00088000       0.89599813      -0.25804890      -1.23372071
O        1.82830000       4.48650000       5.06068000      -0.02630742      -0.36330613      -0.14334354
O        2.67896000       7.14057000       1.57680000      -1.11078452      -0.14348256       0.94812697
O       -0.62191000      -0.67952000       4.25164000       0.53743515      -0.32265824       0.13211069
O        0.23320000       3.77740000       2.35029000       0.70157275       0.94969696       0.12163663
O        1.72241000       2.22311000       3.69830000       0.62865976       0.32729218      -0.72326722
O        0.48089000       2.37233000       5.96146000      -0.28933070      -0.58146121       0.58914675
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.54825861 magmom=21.9981937 free_energy=-99.54902527 stress="-0.0528554345511019 -0.03132069057089564 -0.02568024627612891 -0.03132069057089564 -0.05259553784271523 -0.028992607242518568 -0.02568024627612891 -0.028992607242518568 -0.07685254050113274" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10883000       5.29677000       1.01376000       0.32229883       0.69673077      -1.37553993
Cr       1.68935000       0.90814000       5.31194000       0.53231823       0.88162186      -1.04247406
Cr       1.95114000       2.51722000       1.76787000      -0.58566868       1.77676360      -0.35557091
Cr       0.36389000       3.47338000       4.20077000      -0.80627466      -1.04356621       1.20064666
Cr       1.97463000       6.23045000       5.94909000      -0.07983460      -0.81620670      -1.03700360
Cr       0.88999000      -0.64296000       2.87962000      -0.59593217      -0.10850573       1.00140560
O        0.47172000       1.52256000       0.94936000      -0.39728796       1.25422326       0.50786239
O        1.71069000       4.48371000       5.08467000       1.51283051      -0.11829215      -0.08192829
O        2.64945000       7.14361000       1.64668000      -1.02607523      -0.11198884      -0.73997914
O        2.16194000      -0.61892000       4.30691000       1.95973668      -1.23414512       0.12153444
O        0.31903000       3.90703000       2.32437000       0.38016056      -0.55874348       0.25860453
O        1.90269000       2.18288000       3.58425000      -0.55300302      -0.50228855       2.05739342
O        1.62964000       4.16473000       0.02255000      -0.66326848      -0.11560271      -0.51495111
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.46493962 magmom=19.9999748 free_energy=-98.46829352 stress="-0.03998621405922839 0.0018738685866611293 -0.007634984433796077 0.0018738685866611293 -0.02758267753147831 -0.011260940158389809 -0.007634984433796077 -0.011260940158389809 -0.06444318251157945" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13638000       5.33279000       0.83139000       0.03114148      -0.20405949       0.66299918
Cr       1.64782000       0.87223000       5.42754000       0.79072814       1.37999434      -1.54278407
Cr       2.00207000       2.61382000       1.74049000      -0.75593797       1.31528284       1.50209870
Cr       0.35443000       3.37286000       4.17419000       0.97753469       0.32776376       1.86134617
Cr       1.78672000      -1.80335000       5.88203000      -0.04889182      -1.84985719       1.23341326
Cr       0.80856000      -0.68086000       2.97618000      -0.78891995      -0.56486747      -0.61820931
O        0.48581000       1.68074000       0.89921000       0.01967413      -1.48233698       0.19434187
O        1.89184000       4.45028000       5.12910000      -0.12108228       0.02019263      -1.15270018
O        2.53628000       7.04683000       1.64389000      -0.37408838       0.62028390      -0.44657159
O        2.17257000      -0.68605000       4.34425000       1.43167807       0.23445249      -0.25678442
O        0.41840000       4.00668000       2.29594000      -0.17698294      -0.70091407       0.94297838
O        1.94907000       2.06599000       3.85941000      -1.10023266       0.20789908      -1.46264954
O        1.54948000       4.14092000       0.04349000       0.11537950       0.69616616      -0.91747844
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.41894298 magmom=21.9998832 free_energy=-99.42936031 stress="-0.06942250120617913 0.018837067011332587 0.024656484364548283 0.018837067011332587 -0.056375269316375244 -0.005343569422280763 0.024656484364548283 -0.005343569422280763 -0.08932318375644593" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15677000       5.37556000       0.69328000       0.20955648       0.46251502       3.46693518
Cr       1.69600000       0.90706000       5.42303000       0.60945928      -0.33915340      -2.68193974
Cr       1.99924000       2.77402000       1.81288000      -2.39748331      -1.37289922       1.07546635
Cr       0.39530000       3.29626000       4.25746000       0.75513082       0.56094898      -0.69140767
Cr       2.00117000       6.24546000       5.85928000       0.00961196      -0.54584995       1.59845662
Cr       0.69773000      -0.77248000       3.03982000       1.46528264      -0.35941053      -1.97228328
O        0.36042000       1.70459000       0.93234000       0.57992196      -0.51862820       0.63180428
O        2.05421000       4.43710000       5.02494000      -1.49549643       0.70287971      -0.84226275
O        2.45720000       7.03680000       1.60077000      -0.28884148       0.43247769      -0.19790296
O       -0.69225000      -0.70048000       4.34141000      -1.01092930       0.24185049       0.70366143
O        0.42447000       3.90523000       2.40323000       0.35493772       1.37994399      -0.39444065
O        1.81679000       2.03566000       3.79738000       0.65769420       0.49174580      -1.34795177
O        0.39077000       2.36666000       5.96214000       0.55115546      -1.13642039       0.65186495
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58765938 magmom=21.998705 free_energy=-99.58766542 stress="-0.058267699058912645 0.013206275934444093 0.019656284732375493 0.013206275934444093 -0.059159490089596006 -0.01298753000128661 0.019656284732375493 -0.01298753000128661 -0.06625970436829383" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16781000       5.43526000       0.71027000       1.21345930      -0.44130743       2.15202700
Cr       1.82388000       0.94005000       5.30198000       0.00116959      -0.79406069      -0.17021642
Cr       1.88833000       2.87739000       1.92552000      -0.38464130      -1.06981655      -4.36666832
Cr       0.47305000       3.27107000       4.29812000      -0.95664385       1.85516478      -1.20993561
Cr       2.04463000       6.16220000       5.91758000      -0.16943078       1.97227224       0.92254275
Cr       0.63937000      -0.90724000       3.01723000       1.02629181       0.39908537      -0.51092758
O        0.21232000       1.67423000       0.98100000       0.36793073       1.18558378       0.19301601
O        1.96039000       4.49580000       4.89345000      -0.02597298      -1.14610781      -0.01010954
O        2.43990000       7.04522000       1.55572000      -0.78055289       0.08886888       0.29608052
O       -0.80034000      -0.66179000       4.36498000       0.09211569      -1.72990854      -0.84144778
O        0.41819000       3.99862000       2.45274000      -0.69586702       1.19356951      -0.02952331
O        1.79154000       2.06689000       3.52563000       0.89641117      -0.88550162       3.11896255
O        0.49434000       2.31978000       6.01266000      -0.58426947      -0.62784192       0.45619976
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.95421945 magmom=22.0017003 free_energy=-99.95839316 stress="-0.043581673127357626 -0.0006533805676663136 -0.004762174519929183 -0.0006533805676663136 -0.03043382588222573 0.0022509568440708086 -0.004762174519929183 0.0022509568440708086 -0.06416442336342948" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18576000       5.44039000       0.80843000       1.10664607      -1.82467187       0.06731997
Cr       1.99595000       0.92594000       5.17598000      -0.09113690      -1.40031218       1.47507708
Cr       1.74541000       2.91308000       1.85785000      -0.26644325      -0.14161208      -1.33490752
Cr       0.48777000       3.34160000       4.24491000      -1.48865175       0.28968013       0.33025000
Cr      -0.91755000       6.17946000       6.01325000      -0.55042595       1.38803343      -0.37550116
Cr       0.82207000       7.07857000       2.96794000      -0.16437619       0.31091681       0.51411405
O        0.09407000       1.83921000       0.93630000       1.17936107      -0.61238742       0.37359742
O        1.88009000       4.42816000       4.97934000       1.20966798       0.38101731       0.70598186
O        2.43906000       7.01487000       1.57759000      -1.37281352       0.90196212      -0.12806755
O        2.00271000      -0.83262000       4.28936000       1.51230261      -0.54923348       0.55095889
O        0.32198000       4.28020000       2.44718000      -0.20458195      -1.55647244       0.53671471
O        1.93681000       2.03320000       3.67406000       0.03931318       2.21606908      -1.72207787
O        1.72317000       4.03605000       0.19270000      -0.90886139       0.59701057      -0.99345990
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.20514624 magmom=21.9985156 free_energy=-100.20734314 stress="-0.047918580288398634 -0.015640268553842575 -0.004098889757061171 -0.015640268553842575 -0.04425726683902939 0.024758506462410616 -0.004098889757061171 0.024758506462410616 -0.08343973928620194" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20555000       5.34867000       0.87792000       0.54828738       0.60849036       0.16008715
Cr      -0.87188000       0.85124000       5.12352000      -0.00323841       0.72625775      -0.61203092
Cr       1.63347000       2.91804000       1.72974000       1.16818707      -0.12888763       1.31770475
Cr       0.43737000       3.43571000       4.22263000       1.14116298       0.98093806       2.20377786
Cr       0.01045000       0.02678000       0.03961000      -0.40529992      -0.92153980       0.26282421
Cr       0.81051000       7.01745000       2.96739000       0.38044995       0.31938660       0.66294919
O        0.16627000       1.90998000       0.88716000      -0.14492368      -1.11926989       0.55442211
O        2.00191000       4.39650000       5.22646000      -0.25377802       0.93940928      -1.57845632
O        2.38454000       7.04217000       1.61849000      -0.71186497       0.28998094      -0.46475114
O        2.06726000      -0.99675000       4.29062000       0.66095284       0.60060156       0.27275517
O        0.20893000       4.26291000       2.46960000       0.20617127      -1.63157706       0.27065104
O        2.04225000       2.25076000       3.70784000      -1.46678650      -0.70789937      -1.60441178
O        1.71747000       4.06882000       0.17384000      -1.11932000       0.04410920      -1.44552134
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.32648575 magmom=21.9990711 free_energy=-100.32891079 stress="-0.049514868367251615 -0.0032317888070383712 0.025294017334845886 -0.0032317888070383712 -0.0638566310491503 -0.003950048332898505 0.025294017334845886 -0.003950048332898505 -0.052960507523591" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20736000       5.28179000       0.91775000      -0.19451871       1.93279096       0.04602012
Cr      -0.79281000       0.80432000       5.04889000       0.07617718       2.36084891      -0.33832526
Cr       1.61491000       2.88932000       1.69626000       1.65185870      -0.34766920       0.56142336
Cr       0.43915000       3.54302000       4.30627000       0.49228706      -0.84341794       0.21645774
Cr       2.94927000       0.06047000       0.07033000      -0.28958046      -1.65627294       0.48987976
Cr       0.82302000       6.99892000       3.01384000       1.17037884       0.42938498      -0.38141870
O        0.20701000       1.82526000       0.85752000      -0.58164202       0.81909206       0.31717769
O        2.06673000       4.50341000       5.28588000      -1.04951302      -0.03563371      -1.39127871
O        2.33028000       7.04653000       1.64198000       0.06286015      -0.06843326       0.13995417
O       -0.77136000      -0.98599000       4.33657000      -0.94515309      -0.28335474      -0.11200161
O        0.17174000       4.03342000       2.41691000       0.32386105       0.67381015      -0.30151861
O        1.90852000       2.35652000       3.55915000      -0.29219761      -1.22614056       1.07702150
O        0.45416000       2.35971000       5.99753000      -0.42481807      -1.75500470      -0.32339146
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.1671412 magmom=22.0003915 free_energy=-100.16732296 stress="-0.0650982805990025 0.008805592309139755 0.011809359901002996 0.008805592309139755 -0.08087311814305562 -0.023958859804628106 0.011809359901002996 -0.023958859804628106 -0.05618349045378855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17059000       5.30304000       0.92984000      -0.16328467       1.35178957      -1.31567106
Cr      -0.72029000       0.85276000       4.93433000       0.07708662       1.52362353       1.01260616
Cr       1.69611000       2.79428000       1.71506000      -0.43010832      -0.05612808       0.00249085
Cr       0.47681000       3.61291000       4.39162000      -1.31355830      -1.20333191      -2.11228742
Cr       2.88393000       0.01903000       0.11648000      -0.15555098       0.36641507       0.10191739
Cr       0.89979000       7.02249000       3.06962000      -0.07483792       0.02989895      -0.41487018
O        0.13540000       1.84889000       0.79384000       0.74580140      -0.17571397       0.23298647
O        1.93071000       4.59791000       5.17902000       0.23491112      -0.79334284      -0.26747124
O        2.37510000       6.97671000       1.72336000       0.08863893       0.46707287      -0.34151498
O       -0.79523000      -0.96055000       4.34588000      -0.12972665      -0.80312993       0.40201198
O        0.20826000       3.95755000       2.23565000       0.11492095       0.11393915       2.52981911
O        1.69480000       2.24958000       3.62332000       0.74406753       0.22628718      -0.66184167
O        0.27848000       2.38212000       5.85772000       0.26164030      -1.04737960       0.83182462
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.24382122 magmom=21.9979994 free_energy=-99.24416088 stress="-0.07499028212632873 0.010941743751850908 -0.025519833880477006 0.010941743751850908 -0.07939410812054212 -0.03987830113143042 -0.025519833880477006 -0.03987830113143042 -0.06905368505799134" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09699000       5.37672000       0.87396000      -0.01123710      -1.46793312       0.38815657
Cr      -0.64050000       0.96421000       4.83844000       0.21030496      -2.49017735       2.20365180
Cr       1.78591000       2.64550000       1.74347000      -1.25484958       2.35762032       0.09859915
Cr       0.44024000       3.61969000       4.34376000      -2.13922501      -1.50750918      -1.47335577
Cr       2.79189000      -0.00734000       0.16432000       0.17529011       0.81181720      -0.76919943
Cr       0.99820000       7.06756000       3.12382000      -1.24225469      -0.60354051      -0.60943017
O        0.18416000       1.84647000       0.69810000       0.89853343      -0.37978182       1.19362094
O        1.81569000       4.58653000       5.11596000       1.08920738      -0.05289021       0.46269920
O        2.54214000       6.93901000       1.80896000      -1.15957103       1.73091660      -0.29059686
O        2.12864000      -0.98699000       4.42048000       1.88854756       0.14226099       0.57571076
O        0.26857000       4.00581000       2.34630000      -0.06330480      -0.57040707       0.65256835
O        1.57089000       2.13855000       3.66492000      -0.09744273       1.29964685      -2.15646355
O        0.09280000       2.32187000       5.92889000       1.70600151       0.72997730      -0.27596098
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.70973172 magmom=22.0022808 free_energy=-98.71378479 stress="-0.044010472706056354 0.004683285889075932 -0.004425950465098686 0.004683285889075932 -0.06461661915794696 -0.0015228884495778559 -0.004425950465098686 -0.0015228884495778559 -0.09682548937865516" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00981000       5.39018000       0.83274000      -0.24714409      -0.67263301       2.49845181
Cr      -0.55323000       0.98303000       4.83430000      -0.28450803      -0.74991297       1.83437127
Cr       1.83738000       2.57175000       1.75500000       0.24889602       2.97125917      -1.71636187
Cr       0.27278000       3.55744000       4.19198000       0.58868939      -0.41548982       4.07376449
Cr       2.69934000       0.02363000       0.17141000       0.84657900       0.45061542      -1.24675725
Cr       1.07635000       7.09463000       3.17763000       0.43298123      -0.51285921      -0.20635166
O        0.39272000       1.75788000       0.78305000      -0.64092087       0.46527284       0.98258555
O        1.85360000       4.51804000       5.20823000      -1.20006543       0.18132099      -1.71929363
O        2.64711000       7.12855000       1.85547000      -1.31943793      -0.17421991      -0.33334182
O       -0.66122000      -0.94193000       4.52321000       0.15992556      -0.73196271      -0.90701795
O        0.28100000       4.04505000       2.49951000      -0.53220718       0.52887033      -3.89864497
O        1.48166000       2.10697000       3.49074000       0.54832598      -0.74583489       1.90601074
O        1.25311000       4.24586000       0.00652000       1.39888635      -0.59442623      -1.26741472
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.72357851 magmom=22.0009751 free_energy=-98.73315488 stress="-0.05224886958355497 -0.020555077562894368 0.00683770769575319 -0.020555077562894368 -0.04936266223914182 0.0019808079950731985 0.00683770769575319 0.0019808079950731985 -0.048611590806455995" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.85468000       5.34874000       0.89314000       0.35298046       2.26778216      -1.72409969
Cr      -0.48883000       0.92016000       4.92101000       0.21406695       0.37774291       1.85585186
Cr       1.91347000       2.64449000       1.69383000      -0.64527544       1.43723818       0.37372629
Cr       0.11232000       3.48195000       4.16419000       1.00909333       0.52839789       0.98824693
Cr       2.67653000       0.09438000       0.11024000       0.91032315      -0.77116336      -0.46936118
Cr       0.99541000      -0.99125000       3.22050000       0.23104360      -0.15998703      -2.41318892
O        0.44940000       1.67730000       1.01382000      -0.75418603      -0.34096601      -1.29266312
O        1.68371000       4.46674000       5.16796000      -0.62836834       0.79506584      -1.07214612
O        2.59322000       7.27034000       1.84691000       0.50402536      -1.25135888      -0.19545976
O       -0.43188000      -0.93955000       4.47886000      -1.38021925      -1.10712332       1.00659778
O        0.15643000       4.11026000       2.17354000       0.74289274      -2.42944557       3.68294052
O        1.53440000       2.01229000       3.59064000       0.43233613       1.32965114      -0.20692680
O        0.29529000       2.47382000       5.98766000      -0.98871265      -0.67583395      -0.53351780
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.20473833 magmom=21.9969723 free_energy=-99.20865174 stress="-0.05819618534531047 -0.06125083633476023 -0.006333708992041735 -0.06125083633476023 -0.06788781894451171 -0.0382341176901038 -0.006333708992041735 -0.0382341176901038 -0.03796740707627232" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.76651000       5.38784000       0.90116000       0.56485004       0.52354687      -0.68019437
Cr      -0.44777000       0.85011000       5.06510000      -0.36901515       0.03222486       0.23579288
Cr       1.93411000       2.74937000       1.64693000      -3.10386090      -1.44596337       1.01435721
Cr       0.03092000       3.45274000       4.20614000       1.33234718       1.43112921       0.81874757
Cr       2.72305000       0.11027000       0.03646000      -0.42480995      -2.70263637       0.07762247
Cr       1.28765000       7.12424000       3.15590000      -1.58042511      -0.34468993      -0.63518094
O        0.34697000       1.59081000       1.02556000       1.12824528       1.95335532      -0.16105705
O        1.45022000       4.56170000       5.02280000       0.98534883       0.00063906       0.34113906
O        2.63595000       7.13818000       1.79397000       1.10247244       0.18308424      -0.18701996
O       -0.44701000      -1.03140000       4.51819000       0.34568443       0.40126993      -0.91797352
O        0.15329000       3.95559000       2.29386000       1.61157891       1.62015431       0.31976630
O        1.72525000       2.14811000       3.68311000      -0.68861858      -0.55402565      -1.21453154
O        0.29322000       2.46153000       5.89333000      -0.90379741      -1.09808847       0.98853190
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.50180474 magmom=21.9994624 free_energy=-99.50346458 stress="-0.051133377441928536 -0.05013210041717768 -0.02298932298837849 -0.05013210041717768 -0.08199750673830329 -0.04886887513119802 -0.02298932298837849 -0.04886887513119802 -0.05333765266611485" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71597000       5.43376000       0.85085000       0.11153128      -2.66410912      -0.44113796
Cr      -0.44760000       0.77334000       5.19253000      -0.66781515       0.60435562      -1.78908049
Cr       1.82622000       2.76426000       1.67010000       0.26613432       1.39183014       2.63166400
Cr       0.03667000       3.50204000       4.28115000       1.17991465       0.39036356      -0.44330096
Cr       1.62823000      -1.84655000       6.00913000       0.59554054       0.26463208       0.80985986
Cr       1.30902000       7.12324000       3.06108000      -0.62932398      -0.33760384      -0.30213789
O        0.36777000       1.73322000       0.93058000      -0.54808497      -0.50635396      -0.34747064
O        1.44845000       4.63253000       5.02815000       0.71100199      -1.14368067       0.22095275
O        2.83452000       7.01810000       1.73564000      -0.34838249       2.79030696       0.74218989
O       -0.48894000      -1.00426000       4.42012000       0.73850460      -0.03866412      -0.21351304
O        0.32401000       4.02974000       2.41400000      -0.85511376       0.27880186      -1.24351048
O        1.82495000       2.21532000       3.61200000      -1.15601093      -1.31615620      -0.02804106
O        0.10338000       2.40716000       5.98970000       0.60210389       0.28627769       0.40352602
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.0368325 magmom=21.9964437 free_energy=-99.04677818 stress="-0.06784853074171135 -0.008643157776878229 -0.0091949021841575 -0.008643157776878229 -0.05848286797694858 0.0015626059184098665 -0.0091949021841575 0.0015626059184098665 -0.11938199819973308" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.69917000       5.37447000       0.80852000      -0.41868702      -0.13743772       2.18376169
Cr      -0.48910000       0.73385000       5.22595000       0.26856331       2.86881150      -3.28241265
Cr       1.73916000       2.80417000       1.81551000       0.32136709       0.66259848      -1.21878806
Cr       0.10063000       3.55762000       4.30504000       0.60915076      -1.77177589      -1.56437361
Cr       1.91486000       6.17967000       6.00234000       0.95792796       2.59122809      -0.38691165
Cr       1.30374000       7.10729000       2.97814000       0.42832591       0.32169173       0.05628432
O        0.31296000       1.80976000       0.81069000      -0.91669922      -1.54609984       2.56712045
O        1.61963000       4.49855000       5.16133000      -0.80588541       0.21703715      -1.25941879
O       -0.07664000       7.16501000       1.68524000      -1.70571044      -0.41142796      -0.40792231
O       -0.45756000      -0.92592000       4.26168000       0.47284776      -1.28782307       1.38833229
O        0.27612000       4.16176000       2.31518000      -0.97476569      -0.76557033       1.56125052
O        1.77093000       2.13465000       3.57892000      -0.10955316       0.32605421       1.88251853
O        1.10448000       4.35164000       0.06529000       1.87311813      -1.06728636      -1.51944073
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86730009 magmom=22.000285 free_energy=-99.87572451 stress="-0.059278508085193 -0.018831837600360522 0.002162665017711885 -0.018831837600360522 -0.0543475301721242 -0.0037441053951996358 0.002162665017711885 -0.0037441053951996358 -0.07513616719727884" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.69787000       5.30726000       0.87319000       0.61368491       0.71240886      -0.23912125
Cr      -0.54692000       0.80001000       5.13821000      -0.18486244       0.33344602      -0.06016693
Cr       1.67121000       2.84280000       1.91257000      -1.13057012      -1.58092710      -1.93585928
Cr       0.19028000       3.51147000       4.24985000       0.06555638      -0.76339913       1.93373368
Cr      -0.91795000       6.22723000       5.98478000       0.05519809       0.29124315      -0.65919740
Cr       1.31069000       7.11213000       2.90347000      -1.08167281       0.31872882       0.64178030
O        0.15197000       1.74502000       0.97902000       0.49178623       1.00067757      -0.19242037
O        1.71522000       4.41585000       5.15535000      -0.55899695       1.56784344      -0.65505002
O        2.72721000       7.17615000       1.58553000       0.47229533      -0.49230268       0.70059885
O       -0.40844000      -0.97119000       4.26015000      -0.09050998      -0.19598202       0.48999838
O        0.01194000       4.12841000       2.44888000       1.01276024       0.35334952      -0.54807714
O        1.72654000       2.19990000       3.77398000      -0.23164297      -0.25918301      -0.78002866
O        0.05840000       2.49818000       5.93625000       0.56697411      -1.28590345       1.30380983
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.53079985 magmom=21.9967505 free_energy=-99.53531812 stress="-0.06511759661547546 -0.027494385237006203 0.006059469432996984 -0.027494385237006203 -0.07215532777670651 -0.024285309818446704 0.006059469432996984 -0.024285309818446704 -0.05622881996306809" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.74762000       5.29072000       0.93899000       1.12031003       0.55152705      -1.07723290
Cr      -0.63187000       0.86493000       5.04366000      -0.01725253      -0.39938891       1.15384650
Cr       1.55671000       2.79019000       1.90586000      -0.41526474       0.19453065      -1.06755508
Cr       0.26821000       3.43237000       4.29106000      -1.23211485       2.38952077       2.17692087
Cr      -0.96190000      -1.80030000       5.95078000      -0.99969958      -1.07934176       1.42990099
Cr       1.26130000       7.11223000       2.85307000      -1.20703333       0.04514479       1.96249528
O        0.09284000       1.83441000       1.08223000       0.10516237      -0.82400439      -1.28031748
O        1.73321000       4.57546000       5.09543000       0.20025483      -1.16995908      -0.20451293
O        2.66457000       7.06622000       1.58088000       1.25674907       1.73053870      -0.07571407
O       -0.43969000      -0.97241000       4.29903000       0.16581736       0.89076209      -1.24424713
O       -0.11716000       4.06956000       2.47902000       1.58197507       0.18345552       0.01230714
O        1.71873000       2.26416000       3.81456000       0.26517855      -1.15143856      -1.55895945
O        1.38632000       4.24996000       0.02145000      -0.82408224      -1.36134687      -0.22693174
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.46744285 magmom=21.9966543 free_energy=-99.47376699 stress="-0.06526521826775118 -0.008728095609719686 -0.02002925451126393 -0.008728095609719686 -0.06702923500804588 -0.024411142755579023 -0.02002925451126393 -0.024411142755579023 -0.06223527151470466" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.87209000       5.31044000       0.96640000       0.58589844       0.59273808      -0.57085296
Cr      -0.74751000       0.87618000       4.98694000      -0.20031247       1.03450648       2.10719084
Cr       1.42976000       2.72412000       1.83859000       1.94423558       1.80708570      -0.72839965
Cr       0.27996000       3.46743000       4.43457000       0.20695721      -0.15909747      -1.88023947
Cr      -0.87516000      -1.77377000       5.96693000      -0.63848790      -0.83764081      -0.10932112
Cr       1.16129000       7.08060000       2.87520000       1.91189315       0.52017412       1.30038048
O        0.06263000       1.81826000       0.90231000      -0.63621551      -0.52379487      -0.75186650
O        1.82081000       4.55318000       5.10851000      -0.29405652      -0.31829496       0.58255386
O        2.83646000       7.16163000       1.57954000      -2.02303833       0.48003096      -0.79430998
O       -0.53459000      -0.79592000       4.17785000       0.20882962      -1.72132805       0.39369384
O        0.02140000       4.03537000       2.40251000      -0.02464347      -0.61483365       1.67559941
O        1.80043000       2.18199000       3.65302000      -0.55622182       0.41534622       0.76285005
O        1.42053000       4.14957000       0.27192000      -0.48483798      -0.67489175      -1.98727880
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.04497567 magmom=21.998835 free_energy=-99.04862106 stress="-0.06422054590874231 0.015226849595282773 0.0076960594730455835 0.015226849595282773 -0.08701305025933381 0.0040925851650025526 0.0076960594730455835 0.0040925851650025526 -0.08524059023018794" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03480000       5.35274000       1.01126000      -0.18244163      -0.19219412       0.74965138
Cr      -0.89091000       0.89556000       4.99727000       0.13208859       0.32598122       0.50375601
Cr       1.41178000       2.73187000       1.74462000       1.98630744      -0.28273223      -0.23483505
Cr       0.29424000       3.51121000       4.46110000       0.94284947      -2.26833787      -2.12630127
Cr      -0.85272000      -1.80044000       5.97781000      -0.19754955      -1.44616267      -1.46263498
Cr       1.13659000       7.05859000       2.91588000       0.28038447       0.95155903      -0.69460416
O       -0.01108000       1.77887000       0.59089000      -0.22092249       1.47410164       2.94008551
O        1.87602000       4.42420000       5.29201000      -0.71503803       0.99677458      -0.74630846
O        2.80764000       7.28802000       1.53145000      -1.78862470      -0.59112062       1.23578994
O       -0.62070000      -0.83245000       4.12857000       1.20298577      -1.10321248       1.61761778
O        0.14742000       3.91865000       2.50452000      -1.03559565       1.36194089       0.20654623
O        1.84091000       2.16447000       3.66388000      -0.74197667       1.48926834      -0.55236614
O        1.37917000       4.15255000       0.25658000       0.33753298      -0.71586572      -1.43639680
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.52258412 magmom=21.9942843 free_energy=-99.5256493 stress="-0.05115865500463555 0.00042958655810139754 0.0194165090952749 0.00042958655810139754 -0.06660464249360741 0.027687230561291187 0.0194165090952749 0.027687230561291187 -0.07598569829911228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16113000       5.40271000       1.14324000      -0.41681150      -1.21037288      -1.46766098
Cr       1.93835000       0.91713000       4.99397000       0.12964515      -0.31107935       0.26847508
Cr       1.50682000       2.75524000       1.65970000       0.18505855       1.52683667       0.99192756
Cr       0.35500000       3.45248000       4.35675000      -1.08848376       0.36456567       1.77060669
Cr      -0.69832000       6.21262000       5.94284000      -1.10432724       0.23553071       2.00951265
Cr       1.14052000       7.07746000       2.89868000      -0.34775184       0.90262923       2.32401086
O       -0.04039000       1.91256000       0.68322000       0.99424044      -1.57460485       0.97534850
O        1.85588000       4.41486000       5.42102000       0.16674882      -0.26332753      -2.37763928
O        2.60160000       7.27504000       1.66214000       0.37161207       0.26588747      -0.50832121
O       -0.57650000      -1.07202000       4.28134000       0.54050924       1.31422415      -1.43864253
O        0.11818000       3.95246000       2.51702000       0.06883052       0.66761724      -1.19763829
O        1.77249000       2.32340000       3.72594000       0.37714927      -0.73651139      -1.87493376
O        1.40413000       4.19232000       0.04368000       0.12358029      -1.18139512       0.52495473
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.36301107 magmom=22.0025566 free_energy=-99.36327561 stress="-0.06687260145919613 -0.01383211068760591 0.018444939182325634 -0.01383211068760591 -0.07486042457673092 0.017326808867138853 0.018444939182325634 0.017326808867138853 -0.04067972473437805" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23395000       5.44339000       1.25038000      -0.05707191       1.01004986      -5.63635604
Cr       1.79566000       0.90644000       4.96546000       0.40502823      -0.66208720       1.19400286
Cr       1.61526000       2.84359000       1.64511000      -0.02023219       0.10579474      -0.03839299
Cr       0.35523000       3.41477000       4.31125000      -0.69852093       0.97676492       0.55941212
Cr      -0.81311000       6.14872000       5.97458000      -0.52799265       1.26045332       0.98024080
Cr       1.11963000       7.12002000       2.94873000       0.68426859       0.85615531       2.90077275
O        0.11225000       1.80677000       0.88063000       0.02785003      -0.29251015      -1.08982449
O        1.90382000       4.39592000       5.24526000      -0.33776405      -0.48983087      -0.27662956
O        2.60663000       7.25190000       1.77524000       0.06911242       0.30019023      -2.34373750
O       -0.51983000      -1.13223000       4.26674000      -0.40290871       1.19378646       0.49321916
O        0.11396000       4.03990000       2.30821000       0.31723752      -2.38521022       3.36945558
O        1.78722000       2.33812000       3.58834000       0.27582253      -1.22038177      -0.64913501
O        0.29905000       2.24486000       5.96609000       0.26517113      -0.65317463       0.53697232
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.27597349 magmom=21.9829128 free_energy=-99.27685203 stress="-0.05764714333047894 -0.009040614905969298 0.0026139205101550315 -0.009040614905969298 -0.05762054632522572 0.0020973629788219664 0.0026139205101550315 0.0020973629788219664 -0.05322930016131215" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26399000       5.52331000       1.19653000       0.32901646      -3.04952093      -3.39484794
Cr       1.70004000       0.85831000       4.96915000       0.89884195      -0.68150919       1.17155508
Cr       1.70640000       2.91140000       1.64749000       0.12415027      -2.87470649      -0.69268586
Cr       0.32139000       3.42555000       4.28676000       0.93440447      -2.40738261      -0.37630686
Cr       0.20021000       8.01404000       0.01156000       0.74489385       1.71153236      -2.19870205
Cr       0.92450000      -0.93539000       3.08383000       0.47978592       0.73648842      -1.22694453
O        0.26693000       1.68072000       0.80589000      -0.73782753       1.88964871       0.37810034
O        1.89780000       4.35225000       5.11843000      -0.88049788       0.74132289       0.94255117
O        2.76745000       7.25519000       1.64692000      -2.18585184      -0.05776486       2.53680404
O       -0.60617000      -0.98258000       4.28650000       0.57021804      -0.05022793       1.40101987
O        0.21131000       3.95123000       2.39265000       0.20210994       1.69870799       0.36312910
O        1.85172000       2.13677000       3.46745000      -0.44341603       0.82491354       0.65569294
O        0.38220000       2.03236000       5.91626000      -0.03582762       1.51849811       0.44063470
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.4581492 magmom=21.9827721 free_energy=-99.46066397 stress="-0.054991213381959746 0.012810740672118539 -0.005470257502336912 0.012810740672118539 -0.06337876558159798 0.0009141893290570229 -0.005470257502336912 0.0009141893290570229 -0.07547835174352834" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28199000       5.51918000       1.08010000      -0.10136147      -1.59983240      -1.85551362
Cr       1.68827000       0.78313000       4.99962000       0.90626465       2.06585669       0.77952557
Cr       1.79772000       2.83583000       1.63670000      -0.62891074       0.09523211       0.25871269
Cr       0.32712000       3.35475000       4.23850000       0.07798524      -0.81793991       1.06918941
Cr       3.09801000       8.08658000       0.00393000       0.20271262       0.26357386       0.46978259
Cr       0.93560000      -0.87233000       3.14740000      -0.28789362      -0.31008587      -1.27048923
O        0.21077000       1.84486000       0.70314000       0.05676722      -0.88321530       2.09791410
O        1.79357000       4.38515000       5.18001000       0.43476905       0.00596899       0.01644308
O        2.74699000       7.26765000       1.81407000      -1.45920237      -0.23549379      -0.69672921
O       -0.67070000      -0.86087000       4.43264000       2.41260229      -2.25872262      -0.79828166
O        0.35228000       4.08194000       2.40451000      -0.35847388      -0.41019164      -0.00557422
O        1.81954000       2.06725000       3.55986000      -0.09763666       1.52525427      -1.32458415
O        0.44412000       1.93268000       5.82931000      -1.15762233       2.55959562       1.25960465
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.22193689 magmom=21.9975954 free_energy=-99.22211265 stress="-0.07371923201639569 0.005973171587800016 0.024708060207640253 0.005973171587800016 -0.04193546363599516 0.01422867614222024 0.024708060207640253 0.01422867614222024 -0.08689571648504235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28013000       5.46251000       0.92837000       0.05993383      -0.62614698       0.93564260
Cr       1.77400000       0.77819000       5.00818000       0.29193696       1.59775590       0.84344988
Cr       1.83843000       2.76691000       1.67421000      -2.50191225       3.33539541       0.58562730
Cr       0.33373000       3.26180000       4.23383000      -0.51566367       3.55861661       1.20685676
Cr       2.82607000       0.06550000       0.01753000      -0.24525508      -1.92650907       1.41079032
Cr       0.93189000      -0.79445000       3.16522000      -0.25905376      -1.54163014      -0.87445737
O        0.13885000       1.86422000       0.80634000       2.06757638      -1.77087458      -0.24170231
O        1.78490000       4.40787000       5.29218000      -0.06975716       0.25199260      -2.35324260
O        2.59211000       7.24347000       1.94091000       0.63194281      -0.02431453      -2.79033496
O       -0.50903000      -1.04694000       4.46039000      -0.09995356       0.90597675      -0.00749107
O        0.42313000       4.12802000       2.30044000      -0.64418053      -1.92103104       1.52324893
O        1.77333000       2.25826000       3.55907000       0.89912264      -1.97697449      -0.86108063
O        0.33509000       2.07985000       5.82070000       0.38526340       0.13774357       0.62269314
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.49831176 magmom=22.0075798 free_energy=-99.49831308 stress="-0.050178502192758996 -0.022262694166757874 0.023618752139264773 -0.022262694166757874 -0.05836199981080138 -0.0015029119004355902 0.023618752139264773 -0.0015029119004355902 -0.060155612358065436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26148000       5.36842000       0.81696000      -0.90503550       1.25315916       2.29975264
Cr       1.95929000       0.84885000       4.99591000       0.75537338      -0.58447342       1.42955895
Cr       1.76247000       2.84178000       1.75642000       0.92106469      -1.87900365      -2.71421089
Cr       0.31828000       3.33651000       4.27519000       0.73484156       2.11247740      -0.26877090
Cr       2.73859000       0.03771000       0.09731000       0.39719760      -1.12322527      -1.78571786
Cr       0.92812000      -0.76133000       3.17555000       0.21914069      -1.52603939      -2.47776172
O        0.33961000       1.63980000       0.87701000      -0.34341492       3.11241777       0.69642743
O        1.83234000       4.45004000       5.14561000      -0.36381477      -0.74079604      -0.95591851
O        2.54084000       7.21034000       1.70308000       0.02500059      -1.26156286       1.63608568
O       -0.48168000      -1.15472000       4.42381000      -1.07336434       1.00615840       0.14410201
O        0.32872000       3.91007000       2.31581000      -0.93121190       1.97551327       0.71418778
O        1.85609000       2.23737000       3.53906000      -0.59777568      -1.21003980       0.99916577
O        0.17448000       2.21455000       5.88318000       1.16199858      -1.13458557       0.28309962
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.82226008 magmom=22.0007667 free_energy=-99.82226328 stress="-0.07416591165252885 -0.026788025560234168 -0.01645054721048143 -0.026788025560234168 -0.06442256543380465 -0.02316399298191532 -0.01645054721048143 -0.02316399298191532 -0.04951647734092314" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19392000       5.31948000       0.82869000      -0.59015636       0.79018868       1.08954207
Cr      -0.79223000       0.83983000       5.00576000       0.24142191      -0.68612728       2.35962381
Cr       1.72022000       2.83702000       1.74251000       0.64154416      -0.49283786       0.24193256
Cr       0.33019000       3.49580000       4.27935000       0.10390337      -2.60331615      -1.16518630
Cr       2.89113000       8.06411000       0.10083000       1.00791651       1.06706787      -1.27601533
Cr       0.91694000      -0.79675000       3.12821000      -2.01336037      -1.14942215      -2.91517802
O        0.38815000       1.78535000       0.92302000      -1.98917273      -1.02561811      -0.74121627
O        1.82578000       4.43859000       4.95784000      -0.15924361       1.45672100       1.85196630
O        2.56732000       7.02793000       1.68808000      -0.34795411       0.08210673       0.94744933
O       -0.70955000      -0.97224000       4.36407000       1.29320744      -0.88802926       1.40878314
O        0.13340000       3.99163000       2.39421000       1.27866815       0.85778475      -0.00234999
O        1.88409000       2.09626000       3.67278000      -0.80902751       2.08197481      -1.95160938
O        0.21527000       2.18104000       5.99144000       1.34225315       0.50950696       0.15225807
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97999066 magmom=22.002122 free_energy=-99.98088213 stress="-0.05012065462539547 -0.012248245533754826 -0.010090743767018275 -0.012248245533754826 -0.07054443657626489 -0.03628879536450168 -0.010090743767018275 -0.03628879536450168 -0.06183529521890775" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10321000       5.31318000       0.88831000       0.83684474      -0.01751967      -1.03735018
Cr      -0.61828000       0.80325000       5.07214000      -0.03490916       3.29283539       0.89414249
Cr       1.71717000       2.79008000       1.73364000      -0.65198712       1.57559305       0.23982198
Cr       0.34384000       3.52678000       4.22718000      -0.29968115      -0.63165358       1.02017182
Cr       2.92590000       8.05600000       0.04848000       0.32142283       1.19591139       0.43638871
Cr       0.84097000      -0.87310000       3.00738000      -0.00276520      -0.60804689       1.26560813
O        0.13132000       1.82196000       0.83263000       0.72392383      -0.86296714       0.93315654
O        1.79762000       4.54523000       5.11976000       0.26763708      -1.37073463      -0.52616516
O        2.58740000       6.89784000       1.82190000      -1.40003685       1.86824065      -1.80561097
O       -0.79207000      -0.87139000       4.41034000       0.40815588      -2.48639124      -1.01370916
O        0.15592000       4.18157000       2.41175000       0.40157822      -2.00524849       0.50451738
O        1.83452000       2.21668000       3.63817000       0.07846643       0.11780286      -0.25542935
O        1.56579000       4.08304000       0.08641000      -0.64864954      -0.06782170      -0.65554222
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.22475008 magmom=21.9951789 free_energy=-100.23024778 stress="-0.05597282671321327 -0.008011090889337238 0.007744098533783823 -0.008011090889337238 -0.0580604464715954 -0.00553488291794702 0.007744098533783823 -0.00553488291794702 -0.07591705052422146" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04562000       5.30680000       0.89751000       1.42740690       0.71972940       0.71772417
Cr      -0.54249000       0.86915000       5.14062000      -0.56058930      -0.14354701      -0.93278092
Cr       1.69626000       2.80189000       1.74667000      -0.49164351       0.91678608      -0.14386762
Cr       0.33887000       3.51943000       4.23349000       0.01875212       0.04777558       1.76267009
Cr       2.79688000      -0.00323000       0.01970000      -0.00630587      -0.41695033      -0.22743519
Cr       0.96901000       7.13585000       2.97640000      -0.01528996      -0.15423229       0.48269163
O        0.02957000       1.76289000       0.83725000       1.51305533       0.58104485       0.56626013
O        1.82261000       4.43157000       5.26516000       0.21502108       0.31868087      -2.03129070
O        2.48086000       7.03802000       1.66173000      -0.53211385       0.68987490       0.09954430
O       -0.75611000      -1.00001000       4.32232000       0.27570364       0.71390850       0.12510975
O        0.24555000       4.06900000       2.38503000      -0.21263219      -0.36287950       0.04612890
O        1.83660000       2.34494000       3.61575000       0.11377019      -1.47092818       0.68351612
O        1.64957000       4.18394000       0.11264000      -1.74513460      -1.43926289      -1.14827068
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.18537215 magmom=22.0000034 free_energy=-100.18542948 stress="-0.08016117714654397 -0.018155514012853084 0.022867700604510034 -0.018155514012853084 -0.05450387319120716 -0.02064467908880374 0.022867700604510034 -0.02064467908880374 -0.05264695319788304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03126000       5.33635000       0.92154000       0.61766199       0.80887194       0.11453278
Cr      -0.54198000       0.90268000       5.15005000      -1.02825885      -1.44111487      -1.60323381
Cr       1.66395000       2.82150000       1.76421000       1.94264135      -1.22556298       0.10201394
Cr       0.34056000       3.49972000       4.32806000       0.94749073      -1.44895139      -0.88418530
Cr       1.74184000      -1.81771000       5.99420000       0.32499494      -0.53228341      -0.44260960
Cr       0.91495000       7.02994000       2.99201000       0.51658246       0.95259059      -1.88097224
O        0.23225000       1.80073000       0.88826000      -0.29602313       0.13921612      -0.12033142
O        1.88681000       4.36434000       5.16500000      -0.76689888       2.36625267       0.08623761
O        2.30741000       7.23405000       1.50354000       0.09110063      -1.22846511       1.45036312
O       -0.72316000      -0.97596000       4.21318000      -0.84334990       0.44756982       1.84999957
O        0.25461000       3.92698000       2.32997000      -1.04254120       1.67458929       1.53412961
O        1.88579000       2.26265000       3.71889000      -0.47611094      -0.38045812      -0.89566247
O        1.48595000       4.20698000       0.01221000       0.01271081      -0.13225454       0.68971820
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.32789093 magmom=22.0021615 free_energy=-99.33207096 stress="-0.041568002332193314 -0.02751321003422796 0.004358469378059721 -0.02751321003422796 -0.07335570251381864 -0.01699645013943771 0.004358469378059721 -0.01699645013943771 -0.07406961974688178" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03328000       5.41100000       0.95474000      -1.33271204       1.55186530      -0.13759446
Cr      -0.62771000       0.83306000       5.07227000       0.46821259       1.30437622       1.12576783
Cr       1.74016000       2.76168000       1.81030000       0.93735859       1.05265209       0.53945116
Cr       0.38685000       3.40504000       4.40210000      -0.55779192       1.72593038      -1.28639703
Cr      -1.09730000      -1.77557000       5.91625000      -0.45999431      -0.26682296       2.74612651
Cr       0.86297000       6.96013000       2.94425000      -0.80685970       1.27718664       0.82483816
O        0.44277000       1.85200000       0.81191000      -1.75716630      -0.96398788       0.59960344
O        1.86215000       4.67904000       5.06678000      -0.15752037      -3.20278665      -0.70811708
O        2.19705000       7.20852000       1.57065000       1.27575229      -0.50445808      -0.41400449
O        2.15233000      -0.83936000       4.29554000       0.07029058      -1.17554484      -1.97440077
O        0.08948000       4.07768000       2.44186000       1.15700604      -0.75369578       0.67952847
O        1.90337000       2.09377000       3.76856000      -0.76320992       1.83635710      -1.77748475
O        1.22692000       4.32376000       0.03874000       1.92663445      -1.88107154      -0.21731700
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.78751291 magmom=22.0012295 free_energy=-98.79839976 stress="-0.05554402274673362 -0.002250038112652006 -0.0003116504719377815 -0.002250038112652006 -0.06653274661240145 -0.022694620729045656 -0.0003116504719377815 -0.022694620729045656 -0.07522437330899294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03094000       5.51442000       0.96105000       0.50071779      -3.33000537      -1.80860214
Cr      -0.73702000       0.79202000       5.02366000       0.37021269       2.39656634       0.83996736
Cr       1.89369000       2.72483000       1.87337000      -0.77828635       1.96237977      -2.12645128
Cr       0.40269000       3.37902000       4.38757000      -1.36055351       1.86337450      -0.39466468
Cr      -0.95216000      -1.75112000       5.92891000      -0.95634689      -2.83802571       0.12072345
Cr       0.77797000       6.97869000       2.93280000       0.05442640       0.54939489       0.42058137
O        0.37209000       1.78481000       0.76873000       0.37830202       0.91148589       1.75618603
O        1.81451000       4.60768000       5.01577000       0.55210911      -0.98198565       1.04915885
O        2.31363000       7.05567000       1.65829000      -1.54607884       2.82385872      -0.62428495
O        2.02378000      -0.89421000       4.13678000       0.83398098      -0.19028243       1.63670042
O        0.07430000       4.21468000       2.59708000       0.74563813      -0.95647646      -0.89744000
O        1.86708000       2.17975000       3.67209000      -0.01022867      -0.60229814       0.91858071
O        1.22678000       4.30886000       0.12104000       1.21610714      -1.60798636      -0.89045514
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.49116916 magmom=22.0018591 free_energy=-99.4928203 stress="-0.0627237176696668 -0.010441786781064482 0.009590116670363039 -0.010441786781064482 -0.03647761215665344 0.010074569139537403 0.009590116670363039 0.010074569139537403 -0.07457300894850258" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.88670000       5.43866000       0.88203000       0.87894520      -1.66934668       2.35718463
Cr      -0.84866000       0.85605000       5.02744000       0.43733134      -0.12684813       1.66510020
Cr       2.01484000       2.77313000       1.83192000      -2.91028301       1.65095311      -0.39935785
Cr       0.34131000       3.45449000       4.32331000       0.59573534      -0.79047924       0.64002886
Cr      -0.86844000      -1.82976000       5.95797000      -0.85900036      -1.38306315       1.53887564
Cr       0.69794000       7.05468000       2.96599000       1.62518577       0.30946999      -0.50464483
O        0.34112000       1.82232000       0.93782000       1.56370752      -0.88000714      -0.96767137
O        1.88226000       4.32112000       5.22016000      -0.18034347       3.03376478      -1.64994359
O        2.30811000       7.22123000       1.63068000      -0.90460106       0.22088598      -1.26548711
O        2.03499000      -1.03745000       4.20067000      -0.36732479       0.85577511       1.20500639
O        0.19157000       4.20580000       2.54002000       0.55974741      -0.46255365      -0.44969006
O        1.87143000       2.23934000       3.71974000      -0.09845422      -0.03093807      -1.37617395
O        1.45180000       4.12939000       0.10649000      -0.34064567      -0.72761292      -0.79322697
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.73811646 magmom=22.0088619 free_energy=-99.74060267 stress="-0.028659590736676916 -0.033369499970174576 0.011497774552971433 -0.033369499970174576 -0.06047075693291755 -0.000794851374977697 0.011497774552971433 -0.000794851374977697 -0.045204097694196" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.86041000       5.26517000       0.88462000       0.86717436       2.63233027       0.72735562
Cr       2.05561000       0.89638000       5.08858000       0.22725842      -0.84255925       0.85172111
Cr       1.99182000       2.85592000       1.75546000      -1.51466265      -1.45418394      -0.34814061
Cr       0.30646000       3.49473000       4.27610000       1.57648793      -0.26900100       0.62557700
Cr       0.48334000       8.01560000       0.02364000       0.12540514       1.39869853       1.73011016
Cr       0.69422000       7.14242000       2.98719000       0.54295172       0.33478835      -0.28470308
O        0.50189000       1.79085000       0.92710000      -0.53581393       0.39190514      -0.14019626
O        1.94467000       4.46305000       5.27456000      -0.99343261      -1.16473560      -1.89736060
O        2.20085000       7.34903000       1.50045000      -0.08859182      -1.14582097       1.43922571
O        2.05331000      -0.97682000       4.39723000      -0.22449345       0.61665516      -2.13430074
O        0.36785000       4.13126000       2.38256000       0.43916057      -0.46790067       1.21054056
O        1.88681000       2.26349000       3.67872000      -0.23721265       0.27484854      -0.88943524
O        1.64999000       4.00406000       0.03540000      -0.18423103      -0.30502455      -0.89039363
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74913998 magmom=22.0035847 free_energy=-99.75175167 stress="-0.0491171526087469 -0.011526115935195152 0.018321491082139752 -0.011526115935195152 -0.061718990588331524 -0.019667874053901562 0.018321491082139752 -0.019667874053901562 -0.0453124346763655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.89276000       5.22574000       0.93100000       0.38418131       2.55370585      -0.64684715
Cr       2.01131000       0.88906000       5.15817000       0.46136196       0.21969017      -1.73990805
Cr       1.89896000       2.83780000       1.69563000       0.65344008      -1.43034955       0.32884921
Cr       0.35198000       3.50758000       4.25456000       0.64958729      -0.75731529      -0.02417490
Cr       0.47899000       7.98876000       0.16674000      -0.21854200       1.20815112      -1.52793640
Cr       0.52834000      -0.86819000       2.99708000      -0.14869998       0.04215092      -0.17285592
O        0.51254000       1.78917000       0.81662000      -0.99148150      -0.23706552       1.23185525
O        1.87252000       4.51099000       5.09405000      -0.05375315      -0.60680884       0.63122204
O        2.13986000       7.24354000       1.56183000       0.54944204      -0.68131342       0.24593187
O        2.03779000      -0.79833000       4.28141000       0.16483695      -1.40530423       0.34339957
O        0.50738000       4.02565000       2.34276000      -1.11640083       0.46814964       0.44510705
O        1.88297000       2.29406000       3.59663000       0.14876642      -0.42979479       0.17542907
O        0.62339000       2.06434000       5.91526000      -0.48273861       1.05610394       0.70992836
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.72054293 magmom=22.0015275 free_energy=-99.7251761 stress="-0.057180130137123024 -0.0016726055262633378 0.01585840398002642 -0.0016726055262633378 -0.06791788282097494 -0.034821780648716855 0.01585840398002642 -0.034821780648716855 -0.05794536721153983" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01899000       5.32861000       0.93810000       0.55344501      -0.53435173      -1.09433265
Cr       2.01820000       0.89043000       5.12480000       0.12082321       1.10726154      -0.67706941
Cr       1.82495000       2.72369000       1.67856000      -0.39156306       1.16950379       0.69038601
Cr       0.42812000       3.48636000       4.22255000      -0.68986512      -1.22735247       0.18279027
Cr       0.25645000      -0.06519000       0.23833000      -0.74152315      -0.93855241      -2.36701000
Cr       0.55541000      -0.76428000       3.00452000      -0.33585080      -0.69323556      -0.34958647
O        0.26783000       1.74692000       0.82789000       0.78913001       0.05946231       0.96286086
O        1.85092000       4.43434000       5.09494000       1.17877936       0.99575577       0.96480648
O        2.20956000       6.98946000       1.66459000       0.16533705       1.25103355      -0.60180361
O        2.03382000      -0.74348000       4.21141000       0.60999209      -1.58871415       1.38182506
O        0.39547000       3.99265000       2.30719000      -0.52977534      -0.13499883       0.32918569
O        1.91937000       2.21922000       3.60093000       0.03841095      -0.01271622      -0.39941834
O        0.62611000       2.10333000       5.88962000      -0.76734020       0.54690442       0.97736612
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.99292121 magmom=21.9997309 free_energy=-99.0016948 stress="-0.04611399094258959 0.00572420887993025 0.011114184215912884 0.00572420887993025 -0.08213251762111845 -0.020659003065138223 0.011114184215912884 -0.020659003065138223 -0.08350012515673828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11890000       5.40835000       0.88098000       1.35012360      -4.26762227       0.90689487
Cr       2.05154000       0.93943000       5.03083000      -0.16444209      -0.30749800       3.25836075
Cr       1.69987000       2.62645000       1.71873000      -1.50521021       2.78442356      -0.26423865
Cr       0.48621000       3.41278000       4.18932000      -0.15478595       0.84728583       1.24976247
Cr       0.15347000      -0.02923000       0.18454000      -0.56297071      -1.22366759      -2.10242351
Cr       0.58094000      -0.68195000       3.00864000       1.14618941      -1.51119848       0.81811443
O        0.10278000       1.68622000       0.90969000       1.44742049       0.70193934      -0.11553688
O        2.06645000       4.44772000       5.29417000      -0.13610978       0.67363578      -2.97548314
O        2.38087000       6.86309000       1.75273000      -1.66706921       2.85199257      -0.21980686
O        2.11013000      -0.82124000       4.34548000      -0.00799303      -0.79231349      -0.04839919
O        0.09278000       3.97275000       2.26002000       1.01405557      -0.48979325       1.09984471
O        1.98570000       2.10960000       3.60551000      -0.47763062       1.10837146      -1.20135026
O        1.62440000       4.09732000       0.03671000      -0.28157747      -0.37555545      -0.40573874
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.34290843 magmom=22.0010504 free_energy=-99.34822606 stress="-0.06090870009779137 0.005833069287538065 0.009174909038842468 0.005833069287538065 -0.07256431609390765 -0.019661150818859836 0.009174909038842468 -0.019661150818859836 -0.06743015251717746" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27135000       5.30321000       0.85375000      -1.96218391       2.22256753       2.50319008
Cr       2.06770000       0.94823000       5.05639000       0.02022365      -0.48573079       2.37823152
Cr       1.52617000       2.65443000       1.74989000       1.91620538       1.64550467      -0.66528680
Cr       0.52457000       3.38743000       4.21299000       0.05061574       0.97939022       0.65991246
Cr       0.19303000       8.07132000       0.02894000      -0.36624994      -0.39166056       0.90219634
Cr       0.65330000      -0.69167000       3.06734000       1.32037418      -1.22324976       0.43477255
O        0.15628000       1.72659000       0.89347000      -1.51546968       0.11692277      -0.48790133
O       -0.74285000       4.48854000       5.15888000      -1.49131118      -0.76294359      -0.61143644
O        2.44620000       7.11142000       1.79427000      -0.67059749      -0.20230662      -1.83352631
O       -0.79273000      -0.86809000       4.45837000      -0.04374406       0.20392248      -1.74626950
O        0.00030000       3.90904000       2.35018000       1.35760581       0.57691576       0.04829704
O        1.97184000       2.14506000       3.57106000      -0.44261281      -0.22989378       0.38780336
O        1.50150000       4.17793000       0.12019000       1.82714432      -2.44943832      -1.96998299
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.99858215 magmom=22.0011957 free_energy=-100.0037203 stress="-0.05846201199917048 0.014163471595702866 0.01777129064321446 0.014163471595702866 -0.05813288150060116 -0.0037100679805400893 0.01777129064321446 -0.0037100679805400893 -0.0635028025744114" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.30830000       5.26745000       0.92930000      -0.30488402       2.22778117      -0.28392628
Cr      -0.92095000       0.90485000       5.15997000      -0.53753282       0.68215792      -0.35285271
Cr       1.47904000       2.73765000       1.74290000       2.14564723      -0.69842447      -0.48126166
Cr       0.56073000       3.41809000       4.25962000      -1.00979302      -0.13911353       0.45538749
Cr       1.90181000       6.20324000       5.94099000       0.31450987       0.36698600       0.53587191
Cr       0.76429000      -0.76407000       3.12493000      -0.26424361      -0.23976194      -3.43340980
O        0.00009000       1.79567000       0.78190000       0.04809964      -0.58248718       1.36219026
O        2.10180000       4.43869000       5.04025000      -0.76207133      -0.14307218       0.75811796
O        2.48942000       7.27517000       1.62830000      -0.17669332      -1.50685760       0.85608841
O       -0.75336000      -0.81367000       4.33073000       0.54811052      -0.98670434       0.80373246
O        0.16299000       3.97409000       2.38415000      -0.44006278       0.22777929       0.58594295
O        1.89133000       2.14189000       3.66639000       0.48349616       0.20157941      -1.21689511
O        0.47672000       2.16432000       5.99664000      -0.04458251       0.59013746       0.41101412
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.14334212 magmom=21.9946939 free_energy=-100.15105741 stress="-0.056346095653875626 0.005385961296633596 0.008810263604365785 0.005385961296633596 -0.05543680206471279 -0.008608534415583454 0.008810263604365785 -0.008608534415583454 -0.06305118840740484" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28885000       5.33804000       0.98604000      -0.11751340       0.91598790      -1.19497216
Cr       2.03070000       0.89143000       5.22044000      -0.41729041       0.59708300      -1.55791593
Cr       1.55035000       2.77451000       1.72964000       0.45607766      -0.29194017       0.37538351
Cr       0.53018000       3.44314000       4.30274000      -2.23094717      -1.51236240      -0.72707117
Cr       1.81239000       6.20977000       5.89575000       0.19912350       0.50384343       0.69465973
Cr       0.84679000      -0.83727000       3.00481000       0.06485009       0.23979287      -0.97063280
O        2.87544000       1.74699000       0.80657000       1.32817444      -0.73052869       0.85134799
O        1.87131000       4.40039000       5.17066000       1.86264392       0.20730318       0.07639394
O        2.57956000       7.15617000       1.62129000      -0.49542430      -0.61137971       0.28462059
O       -0.67676000      -0.81359000       4.30606000       0.59651433      -0.68102986       0.42827761
O        0.27853000       4.08563000       2.41696000      -0.47082308      -0.44969712       1.02467680
O        1.90756000       2.14790000       3.64864000       0.23472019       0.58417543      -0.45899366
O        0.59782000       2.08246000       5.91761000      -1.01010577       1.22875214       1.17422554
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.78826006 magmom=22.0020066 free_energy=-99.79144784 stress="-0.05436492371640529 0.008062231156231836 0.012278825689128418 0.008062231156231836 -0.06962760155887053 -0.02835590594082897 0.012278825689128418 -0.02835590594082897 -0.05932081883241022" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23687000       5.42261000       0.98883000       1.35947454      -4.54806873      -0.68221131
Cr       1.96218000       0.89878000       5.18260000      -0.45218407      -0.18988967      -0.43766107
Cr       1.66467000       2.78626000       1.75020000      -0.03071133       0.56870385      -0.02273537
Cr       0.38355000       3.41588000       4.31864000       0.85625488      -0.03534266       0.50812647
Cr       1.75211000       6.23163000       5.90456000       0.38477465       0.23511533       0.25937552
Cr       1.13165000       7.20337000       2.82368000       0.44748098       0.76706145       4.24094927
O        0.03776000       1.63587000       0.93411000       0.67692586       1.27227621       0.21063103
O        1.92761000       4.39166000       5.32227000      -0.25973067       0.09832029      -2.78617801
O        2.64427000       6.95600000       1.70574000      -1.74838094       3.21433583      -1.32330227
O       -0.58380000      -0.83258000       4.34723000       0.19714579      -0.32015435      -0.79998948
O        0.31340000       4.12705000       2.49224000      -0.23289414      -0.62732827      -0.37101620
O        1.96427000       2.23894000       3.60273000      -0.93355634      -0.58240980       0.77394153
O        1.68224000       4.02382000       0.01666000      -0.26459923       0.14738052       0.43006988
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.28465811 magmom=21.9984293 free_energy=-100.28511331 stress="-0.059104254543869576 -0.004516508446108017 0.024185661990655857 -0.004516508446108017 -0.05136441917927155 -0.010266033342683015 0.024185661990655857 -0.010266033342683015 -0.05002138095111069" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19134000       5.30839000       0.95347000      -0.03510672       1.52877176      -0.13597880
Cr       1.87314000       0.88626000       5.10563000       0.12940147      -0.58960977       1.60244268
Cr       1.80211000       2.81437000       1.79845000      -0.27972452       0.20057443       0.15938866
Cr       0.26962000       3.39107000       4.34440000       2.53659185       0.36602407      -0.24623953
Cr       1.55365000      -1.83297000       5.94170000       1.16527822       0.71327544      -0.93893317
Cr       1.24434000       7.17061000       2.85185000      -2.07010039       0.50285804       1.09002329
O        0.31295000       1.76067000       0.98433000      -0.78327956      -0.05228991      -0.65350676
O        1.93816000       4.41619000       5.14841000      -1.73787129       0.64442313       0.31115597
O        2.61163000       7.16111000       1.54653000       0.72728367      -0.69429554       0.48459130
O       -0.56666000      -0.80942000       4.26013000       0.53624176      -0.50127685       0.36764409
O        0.30315000       4.05859000       2.44659000      -0.19891124      -0.82651311       1.08341323
O        1.83417000       2.22409000       3.74910000      -0.61707135      -0.06090739      -1.61104974
O        1.56438000       4.12147000       0.19826000       0.62726809      -1.23103431      -1.51295122
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.49859573 magmom=21.9981774 free_energy=-99.50219497 stress="-0.0726021341716485 -0.02485633161349898 -0.012592822007305127 -0.02485633161349898 -0.05452606322290433 -0.006989886461086975 -0.012592822007305127 -0.006989886461086975 -0.06835007116463848" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12430000       5.22190000       0.90767000       0.15356590       2.98499522       0.76529818
Cr       1.81450000       0.83518000       5.08601000       0.00073566       0.65983244       1.46422433
Cr       1.92136000       2.81885000       1.85173000      -2.59486689      -1.18432354      -1.17388766
Cr       0.26655000       3.40101000       4.35855000      -1.06225210       0.57891016       0.30353999
Cr       1.64509000      -1.76180000       5.92766000       0.89018715      -0.09829011      -0.21884722
Cr       1.26041000       7.17110000       2.95386000      -2.07388833       0.15525816      -2.73074971
O        0.39436000       1.92111000       0.85389000      -0.61896316      -1.57249817       0.23585409
O        1.67624000       4.52391000       5.04870000       0.98286023      -0.58292789       0.30055097
O        2.71488000       7.22549000       1.52349000      -0.21188132      -1.27590963       1.78419011
O       -0.57369000      -0.80560000       4.21713000       1.76477726      -0.51723217       1.74168741
O        0.27182000       3.94277000       2.46969000       1.20999971       1.45703342       0.72023914
O        1.60955000       2.15295000       3.75310000       1.35140041       0.49544220      -1.61965983
O        1.58605000       4.13941000       0.17492000       0.20832547      -1.10029008      -1.57243980
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.46594457 magmom=21.997453 free_energy=-99.46719779 stress="-0.05266934981729075 -0.020580101913817667 -0.00859095667188505 -0.020580101913817667 -0.051717318224645016 -0.004727697852823393 -0.00859095667188505 -0.004727697852823393 -0.0941463981322377" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03195000       5.28921000       0.89762000       0.03465261       0.56759515       0.31624719
Cr       1.78785000       0.82243000       5.11550000      -0.23450450       1.97863024      -1.64721922
Cr       1.92075000       2.74780000       1.84719000      -1.50305960       1.10831906      -1.43804511
Cr       0.21723000       3.44639000       4.36181000      -0.34869754      -0.49401700      -0.65839597
Cr       1.81407000      -1.71546000       5.90357000      -0.60298605      -3.31722603       1.53004732
Cr       1.19258000       7.18468000       2.94971000       2.05373600      -0.06739846       2.30844706
O        0.26519000       1.83141000       0.73430000       0.84606192       0.01664860       3.17104073
O        1.58245000       4.56255000       5.12027000       1.46905450      -0.57594683       0.28790326
O        2.79529000       6.99865000       1.80015000      -1.78853712       1.07669689      -2.97678539
O       -0.47086000      -0.84677000       4.36066000       0.48428407       0.44103794      -1.02659567
O        0.36752000       4.04659000       2.50750000      -0.40448045      -0.33351757      -1.10618595
O        1.65006000       2.12988000       3.60541000       0.62157924       0.25792593       0.89534141
O        0.56277000       2.22843000       5.96754000      -0.62710308      -0.65874792       0.34420034
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.60206471 magmom=22.0010292 free_energy=-99.60535066 stress="-0.05394474722571111 0.016153193295928542 0.03128053403062115 0.016153193295928542 -0.07842785333320974 -0.0340541371854226 0.03128053403062115 -0.0340541371854226 -0.07924336275522814" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93408000       5.38089000       0.90542000       0.39122297      -3.92232354      -0.58542043
Cr       1.79166000       0.90901000       5.09298000       0.78334418      -1.19563957       0.33802279
Cr       1.82331000       2.70931000       1.76962000      -1.49112460       1.79824810       0.06137926
Cr       0.14397000       3.48877000       4.31260000       2.47876205      -0.58794512      -0.79593690
Cr      -1.00197000      -1.82961000       5.96410000      -0.30827383      -0.40588750       1.16578200
Cr       1.00215000      -0.92432000       3.01356000       0.09021447      -0.26484689       0.17292978
O        0.20349000       1.70979000       0.96699000       1.17781706       0.04428373      -0.51992856
O        1.80344000       4.48113000       5.28866000      -0.87963310       0.46756321      -2.40676950
O        2.65928000       6.93164000       1.74335000       0.21906954       3.84803619       0.45930925
O       -0.42995000      -0.77617000       4.35713000      -0.25109200      -0.22094520       0.30041586
O        0.36855000       4.11984000       2.32482000      -0.58310628      -1.37487002       1.19016527
O        1.86402000       2.15877000       3.63630000      -0.65102574       1.00959148      -0.93820910
O        0.53736000       2.13332000       5.83420000      -0.97617473       0.80473515       1.55826030
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05644685 magmom=21.9865626 free_energy=-100.05774331 stress="-0.06634287655310168 -0.02506080099330832 0.013989955950554337 -0.02506080099330832 -0.05858027887907626 -0.02763545784227686 0.013989955950554337 -0.02763545784227686 -0.05026702577883479" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.88332000       5.34435000       0.90776000       0.03136844       0.01255420      -0.09052821
Cr       1.85428000       0.96222000       5.09081000      -0.77082960      -0.69487412       0.59000841
Cr       1.68214000       2.74270000       1.70469000       1.02617316       0.28523799       0.22775278
Cr       0.20421000       3.51728000       4.22517000       2.94425939      -0.84801745      -0.14928380
Cr       0.46604000       8.00832000       0.04912000      -0.06360679       2.03652020       0.01495571
Cr       1.20674000       7.14604000       3.07720000      -1.12060370       0.48439374      -0.85882730
O        0.27560000       1.66569000       1.04348000      -1.02472026       0.11400639      -1.08748286
O        1.88993000       4.44803000       5.19223000      -1.58129795       0.52187471      -0.62584743
O        2.61440000       7.22971000       1.68615000       0.66381805      -1.13320650       0.07296892
O       -0.51894000      -0.70347000       4.35168000       0.94210497      -1.62453584       0.62649905
O        0.21895000       3.99205000       2.26857000      -0.25194874       0.38882577       1.24325243
O        1.92367000       2.27499000       3.61231000      -1.81699923      -0.39337268      -0.50300742
O        0.37461000       2.09261000       5.93647000       1.02228226       0.85059360       0.53953973
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.20626757 magmom=21.995014 free_energy=-100.20974395 stress="-0.054243837434480184 -0.028534286274363795 -0.0028430484385208177 -0.028534286274363795 -0.048540859565886885 -0.015300848022460421 -0.0028430484385208177 -0.015300848022460421 -0.059855297590171906" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.85647000       5.32492000       0.91541000      -0.07044774       0.80842073      -0.72446266
Cr       1.91586000       0.98080000       5.11979000      -0.86886848      -1.65136338      -0.35261577
Cr       1.60192000       2.77310000       1.67951000       0.10856625      -0.88337087      -0.05737515
Cr       0.37700000       3.52083000       4.15242000      -2.33277002      -0.28574287       1.53426565
Cr       0.54154000       8.00626000       0.12551000      -0.30360879       0.89494910      -1.81922651
Cr       0.97359000      -0.95235000       3.08427000       0.38080871       0.21593388       0.28726524
O        0.19662000       1.70105000       0.85411000      -0.72094839       1.36306917       0.65532831
O        1.75966000       4.49457000       5.06557000       0.93443140      -0.08893995       0.58680696
O        2.74362000       7.21984000       1.70874000      -0.75235881      -1.22246027       0.51746807
O       -0.53732000      -0.84197000       4.41465000       0.55369803      -0.31076963      -0.23986973
O        0.04295000       3.95617000       2.31745000       0.92815302       0.83601746      -0.07839579
O        1.70756000       2.27065000       3.60258000       0.97640814      -0.69198709      -0.26301526
O        1.48322000       3.95315000       0.03364000       1.16693668       1.01624372      -0.04617336
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.46657136 magmom=21.9936325 free_energy=-99.4756519 stress="-0.05296333541406274 -0.010027331707023747 -0.010232993133936512 -0.010027331707023747 -0.057974618786797875 -0.006413259578628349 -0.010232993133936512 -0.006413259578628349 -0.09227077591868953" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.83991000       5.35501000       0.88446000       0.27275436      -1.38513607      -1.47597911
Cr       1.95585000       0.94273000       5.13337000      -0.52079383       0.12991712      -2.02477661
Cr       1.53261000       2.76086000       1.67915000      -0.16356811       1.11238884       0.27364380
Cr       0.43576000       3.52878000       4.16230000      -2.09048701      -0.28777119       1.11532135
Cr       0.36819000      -0.02877000       0.11373000      -0.98695374      -0.36634189      -0.10575176
Cr       0.95210000      -0.93838000       3.11028000       2.02798685      -0.56882174       0.74952886
O       -0.00649000       1.89246000       0.70824000       0.73736902      -2.36184024       2.80606643
O        1.81651000       4.51300000       5.11546000       0.84905771      -0.04338466       0.11360809
O        2.81020000       6.94314000       1.79423000      -1.20651446       2.97044839      -0.56671088
O       -0.49330000      -0.98759000       4.41256000      -0.12870868       1.11253445       0.25685152
O        0.00922000       4.05793000       2.29148000       0.50856442      -1.16490276       1.03051446
O        1.64299000       2.09728000       3.60889000       0.75155212       0.85784655      -1.53994331
O        1.58080000       4.01995000       0.04513000      -0.05025866      -0.00493682      -0.63237285
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.43595947 magmom=21.9982544 free_energy=-99.44525758 stress="-0.06263038086893048 0.008639545328709369 0.012210788152826354 0.008639545328709369 -0.055876010527041144 -0.017566264364753365 0.012210788152826354 -0.017566264364753365 -0.07133660771615224" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.86189000       5.34187000       0.77522000       0.65032509      -0.60109850       2.87487502
Cr       1.98348000       0.89100000       5.05537000      -1.09868732       0.66574683       0.56029878
Cr       1.42347000       2.78814000       1.71427000       1.37498208       0.10993287      -0.11598171
Cr       0.36477000       3.53643000       4.25703000       1.40410212      -2.13081280      -1.38120781
Cr       0.28357000       0.04991000       0.07034000      -0.72062947      -1.21280674       1.61986156
Cr       1.03159000      -0.97361000       3.18700000      -0.53655219      -0.57519908      -2.39072271
O       -0.07380000       1.79226000       0.90529000       0.65718189       0.31710192      -0.81243525
O       -0.85724000       4.48623000       5.27079000      -1.55529253       1.60387030      -1.39596835
O        2.72349000       6.98754000       1.80933000       0.31961113       1.04031887      -0.45232318
O       -0.49024000      -0.88594000       4.42324000       0.94875785       0.03998186       0.73003578
O        0.08108000       4.02668000       2.35812000      -0.75439274       0.56057016      -0.14489267
O        1.77175000       1.97931000       3.42002000      -0.40309131       1.18695709       0.98410107
O        0.50941000       2.24546000       5.88956000      -0.28631460      -1.00456277      -0.07564054
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.47761578 magmom=22.0009302 free_energy=-98.48948883 stress="-0.04799560741412112 0.008390449445759382 0.019129662680195815 0.008390449445759382 -0.0921601719455074 -0.015989289930599893 0.019129662680195815 -0.015989289930599893 -0.07489701226577779" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.95238000       5.29166000       0.77686000       0.02148453       1.31936682       1.80349178
Cr       1.97511000       0.90115000       4.97006000      -1.68759997       1.01839320       1.75050950
Cr       1.35772000       2.81058000       1.76547000       2.97898869      -0.74168703      -0.69824402
Cr       0.32458000       3.45056000       4.28558000       0.95506009       0.08778710      -2.29634306
Cr       0.10326000       0.08806000       0.08497000       0.05748855      -0.22057890       1.05377559
Cr       1.30902000       7.04269000       3.15828000      -1.19390547       0.36165187      -1.16261043
O        0.04076000       1.70726000       1.00978000      -1.24645487       2.40069134      -0.54823253
O       -0.72273000       4.64774000       5.30692000      -1.31619922      -1.95028668      -1.26758295
O        2.70808000       7.21710000       1.80361000       0.89986556      -1.45804404      -0.40473588
O       -0.41581000      -0.75853000       4.50012000       1.46079957      -2.33370060      -0.85550303
O        0.05505000       4.06621000       2.40322000      -0.75548256       0.81937053      -0.55519480
O        1.88059000       2.06756000       3.43726000      -0.58384602       1.13380156       0.91113777
O        0.50799000       2.16921000       5.67392000       0.40980113      -0.43676517       2.26953205
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.18405463 magmom=21.9969966 free_energy=-99.18939657 stress="-0.06930882310250723 -0.006513625666806385 0.01536425495817596 -0.006513625666806385 -0.05270648144761644 0.01658650468057061 0.01536425495817596 0.01658650468057061 -0.07503532862685997" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07367000       5.32305000       0.89320000      -0.04361978       1.50856304      -2.02042132
Cr       1.92232000       0.96342000       4.97179000       0.00023242      -3.17897508       1.24435544
Cr       1.44283000       2.79660000       1.78875000       1.09963560       1.48658171      -1.31058610
Cr       0.34430000       3.37854000       4.19655000       0.47380151       3.67509951       2.53709385
Cr       2.91499000       0.10815000       0.15180000       0.73807554      -0.18017219      -1.63246859
Cr       1.34376000       6.97987000       3.03924000       1.02770429       0.23376072       1.39661362
O       -0.02004000       1.94605000       0.89820000      -0.24030483      -1.19241919      -0.24705085
O        2.08271000       4.57003000       5.22028000      -0.93342166      -1.47342103      -0.61645426
O       -0.11294000       7.14979000       1.77937000      -0.69629087      -0.55562716      -0.29105255
O       -0.25033000      -0.94331000       4.44959000      -0.86610656       0.83147438       0.38078879
O       -0.07780000       4.18841000       2.34485000       0.54344897      -2.00951168       1.87503150
O        1.86342000       2.32395000       3.66535000      -0.61859634      -1.12536245      -2.18718821
O        0.50457000       1.99566000       5.77688000      -0.48455830       1.98000941       0.87133868
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74762994 magmom=22.002587 free_energy=-99.74898087 stress="-0.06009827772416339 -0.0086597268302868 0.00614611353839573 -0.0086597268302868 -0.07965915819335366 -0.009111866008075007 0.00614611353839573 -0.009111866008075007 -0.06709527670945778" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14329000       5.39863000       0.92497000       0.10639817      -3.47677809      -2.04596614
Cr       1.89097000       0.90473000       5.03379000      -0.65204428      -0.04416672      -0.88044348
Cr       1.54956000       2.84724000       1.74532000      -0.89527283       0.76433495      -1.33757794
Cr       0.36272000       3.48826000       4.23395000      -1.66830727      -1.16322720       0.90341762
Cr       2.83074000       0.10377000       0.14129000       0.42329179      -1.23188084      -2.01613404
Cr       1.40525000       6.95557000       3.00487000       0.45959164       0.46744423       2.12315417
O       -0.07560000       1.92729000       0.75186000       1.11768072      -1.04993662       1.96837048
O        1.80126000       4.31996000       5.13321000       0.81167342       2.63737775       0.68359094
O       -0.05435000       7.01986000       1.73596000      -1.01942995       2.46937595       0.56780809
O       -0.29198000      -0.96499000       4.42452000      -0.26160359       0.09548608       0.11494748
O       -0.04337000       4.07531000       2.40048000       1.35911274       0.49764438      -0.03300447
O        1.78795000       2.31129000       3.59806000       0.12500148      -1.20253525      -0.45250856
O        0.40856000       2.05901000       5.95113000       0.09390795       1.23686138       0.40434587
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.29622773 magmom=22.0000796 free_energy=-100.30148889 stress="-0.04333923797073547 -0.003649269090620349 0.002267450044418973 -0.003649269090620349 -0.04328377159527705 -0.004254539868767008 0.002267450044418973 -0.004254539868767008 -0.05972831219582854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17036000       5.35610000       0.88365000      -0.14517465       0.16927531       0.53090805
Cr       1.86142000       0.86431000       5.06774000      -0.42398396       0.36713881      -0.25200566
Cr       1.59333000       2.89330000       1.67056000       0.54905815      -1.67145767       0.76167203
Cr       0.29809000       3.54533000       4.30031000      -0.41599857      -2.25100872      -0.84832719
Cr       2.81170000       0.03939000       0.06420000       0.54070359      -0.10818875      -0.69934436
Cr       1.45982000       6.96863000       3.05954000      -2.36605622       0.61642689      -0.64128776
O        0.05348000       1.78338000       0.82479000       0.15018000       1.44478675       0.87909992
O        1.75221000       4.47953000       5.21771000       0.45016982       0.26594981      -1.08835661
O       -0.11340000       7.11692000       1.74332000       0.21038589      -0.40130226       0.11690480
O       -0.43213000      -0.86827000       4.39809000       1.55459836      -0.72769298       1.10718473
O        0.19187000       4.05690000       2.37585000      -0.61479456       0.39369064       0.50795296
O        1.74801000       2.09615000       3.53194000      -0.14696012       1.87805404       0.23268024
O        1.43993000       4.04497000       0.00545000       0.65787227       0.02432815      -0.60708114
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.26039765 magmom=22.0006994 free_energy=-100.26364442 stress="-0.04752249183487774 0.010127776800224296 0.013090837076081744 0.010127776800224296 -0.06034782014340076 -0.023295936693523374 0.013090837076081744 -0.023295936693523374 -0.052138945635275116" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16561000       5.33014000       0.87430000      -0.25230622       1.31033954       0.17836871
Cr       1.83561000       0.86553000       5.08511000      -0.59635484       0.83361396       0.42945796
Cr       1.66293000       2.83879000       1.66282000       0.25202624       0.63073825       1.71396302
Cr       0.20739000       3.48781000       4.29583000       1.25569654      -0.68305952      -1.03412542
Cr       1.89814000       6.23239000       6.01688000       0.70692084       2.50359920       1.80267239
Cr       1.40376000       7.02779000       3.07512000      -1.35369314       0.32874970      -0.28576500
O        0.15925000       1.85382000       0.92597000      -0.35618100      -0.96412055      -0.73265709
O        1.85332000       4.59237000       5.18805000      -1.03078465      -2.66917957      -1.61106181
O       -0.11473000       7.09233000       1.77632000      -0.26334732      -0.11157413      -0.48226499
O       -0.45898000      -0.82001000       4.47954000       1.39819083      -1.09582402      -0.31647808
O        0.30841000       4.12152000       2.35725000      -0.91309966      -0.90355030       1.19282920
O        1.69004000       2.17630000       3.62244000       0.18469469       1.23418594      -0.63292670
O        0.27435000       2.23598000       5.95858000       0.96823769      -0.41391852      -0.22201219
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57941355 magmom=21.9959625 free_energy=-99.58125166 stress="-0.08916067626718424 -0.0007247462638795734 0.016049511143883994 -0.0007247462638795734 -0.07793329230934189 -0.02899163877251354 0.016049511143883994 -0.02899163877251354 -0.07735660932819924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12968000       5.36540000       0.88350000       0.28838212      -2.44078340      -1.64340006
Cr       1.80346000       0.93296000       5.12789000      -0.15385768      -0.04940430      -0.77910763
Cr       1.77919000       2.76265000       1.78247000      -1.31703466       1.55476067      -0.66140204
Cr       0.17475000       3.38904000       4.21158000       1.80386521       2.24953646       1.90870702
Cr       2.98756000       0.03848000       0.00592000      -0.10125420      -1.65197944       0.07183495
Cr       1.24751000       7.14023000       3.05898000       1.30257561      -0.36782211       0.90005649
O        0.19120000       1.83173000       0.82906000       0.28005774      -0.51380721       1.32128764
O        1.76676000       4.33613000       5.02768000      -0.72171140       2.90959555       1.77337236
O       -0.14141000       6.95747000       1.75628000      -1.55135708       2.82170793       0.00957065
O       -0.39269000      -0.84364000       4.49052000      -0.03604761       0.37290334      -1.11104072
O        0.21900000       4.09218000       2.40719000       0.12000961      -0.55096126      -0.92470152
O        1.67973000       2.41642000       3.69867000       0.29318675      -4.35452533      -2.40197983
O        0.40613000       2.18309000       5.83085000      -0.20681441       0.02077911       1.53680266
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.68108246 magmom=21.9988587 free_energy=-99.68867325 stress="-0.060284029042798525 -0.021507132286572937 0.011134241211866272 -0.021507132286572937 -0.04713548610033494 -4.988488719807439e-05 0.011134241211866272 -4.988488719807439e-05 -0.09231246388188466" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06919000       5.33308000       0.84254000      -0.21090471       0.01522439       0.42902799
Cr       1.80241000       0.99601000       5.16398000       1.13793619      -2.97073087      -0.23238186
Cr       1.84177000       2.73141000       1.86117000      -2.57014240      -0.63938668      -4.53915379
Cr       0.22706000       3.39568000       4.19014000      -0.23909119       0.13125118       1.43058446
Cr       0.17599000       0.01791000       0.04073000      -0.51922700      -1.06403887      -0.99497295
Cr       0.93068000      -0.85031000       3.05773000       1.47093129      -0.27477876      -1.31341100
O        0.22680000       1.74924000       0.81842000       0.30452153       1.15610565       1.57007054
O        1.60396000       4.42345000       5.16908000       1.35716638       0.47614395      -1.15728898
O        2.65865000       7.10196000       1.69244000      -0.04481279       0.14535168      -0.34251609
O       -0.46881000      -0.74991000       4.30403000      -1.27774534       0.01174558       1.97273551
O        0.14188000       3.98413000       2.29548000       1.83282692       0.87828330       1.21979035
O        1.74811000       2.04828000       3.56213000      -0.19348023       0.93345632       1.03409182
O        0.45864000       2.10682000       5.91934000      -1.04797866       1.20137313       0.92342399
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.64172056 magmom=22.0018472 free_energy=-99.65349163 stress="-0.041903006914729285 -0.016326711269159973 0.0024103126708163738 -0.016326711269159973 -0.025550265831216404 -0.009709039819987367 0.0024103126708163738 -0.009709039819987367 -0.06978144259412226" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01083000       5.30670000       0.82438000       0.38021113       0.76201507       1.52814279
Cr       1.87405000       0.92931000       5.20517000      -0.19142269      -0.01777808       1.00640667
Cr       1.78077000       2.69007000       1.73462000      -0.37610299       1.26689678       1.37687519
Cr       0.26677000       3.44783000       4.25031000      -0.09990794      -0.58055996      -0.20019356
Cr       0.48164000       8.06697000       0.03899000      -0.52215366       1.01553690      -0.34636449
Cr       0.87303000      -0.77235000       3.00299000      -0.97399066       0.11572082      -0.42343429
O        0.29742000       1.77751000       0.95049000      -0.22801896      -1.14697758      -0.87434015
O        1.73470000       4.53947000       5.19122000       0.37087944      -1.22174886      -1.41945964
O        2.56142000       7.21728000       1.61839000       0.03117075      -0.86084308       0.26661790
O       -0.72205000      -0.67526000       4.34228000       1.67312746      -2.12569677       0.14059175
O        0.29895000       3.98018000       2.31639000      -0.47353680      -0.07762450       0.52072428
O        1.78168000       1.83010000       3.56878000      -0.16410666       3.02418596      -0.87296051
O        1.48232000       4.03554000       0.07562000       0.57385158      -0.15312672      -0.70260594
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.0590545 magmom=21.9991849 free_energy=-100.06023417 stress="-0.04809535848271442 -0.0010053109370649481 0.005140321193731903 -0.0010053109370649481 -0.050856133064352854 -0.024726578365760164 0.005140321193731903 -0.024726578365760164 -0.04905406485756655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.92392000       5.31775000       0.87980000       1.31995965       0.53209738       0.86415831
Cr       1.96355000       0.86266000       5.25684000       0.05220447       0.68825775      -1.90958287
Cr       1.70795000       2.70277000       1.69332000       0.76029340       1.03510769       1.89655150
Cr       0.30190000       3.46458000       4.27680000       1.78472450      -2.33205073      -1.07046665
Cr       0.51473000       8.06403000       0.01061000      -0.81890877      -1.78486911      -0.42171341
Cr       0.78819000      -0.70576000       2.94415000       0.34993062      -0.74167743       1.22954616
O        0.28783000       1.65750000       0.89124000      -0.52112565       1.18030597       1.13534038
O        1.95993000       4.43856000       5.06022000      -1.96619425       1.04045979       1.05605336
O        2.56354000       7.12981000       1.61673000      -0.82949609       0.49595621      -0.30171089
O       -0.76810000      -0.86925000       4.38406000       0.66926274       0.39859489      -1.61380962
O        0.34119000       3.97831000       2.42650000      -0.92538124       0.12490157      -0.93390479
O        1.78828000       2.12819000       3.59554000       0.17676400       0.12678262       0.65378708
O        1.43854000       4.11987000       0.07243000      -0.05203339      -0.76386660      -0.58424856
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62584728 magmom=21.9971061 free_energy=-99.63264273 stress="-0.0748725990147715 -0.006181236488805467 0.008695564252487688 -0.006181236488805467 -0.07654139277027204 -0.023872371368708466 0.008695564252487688 -0.023872371368708466 -0.06222939186955336" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.92532000       5.33406000       0.96861000       1.15271758      -0.45043528      -1.60591873
Cr      -0.91845000       0.82578000       5.20587000      -0.06205165       1.10816069      -1.10995480
Cr       1.67791000       2.75405000       1.78187000       0.01101277       0.23981174      -0.68064562
Cr       0.40706000       3.40300000       4.24723000      -1.27310157       2.95996709       2.50523553
Cr      -0.68325000       6.14212000       5.96175000      -0.70060417       0.26810953       0.37377504
Cr       0.71017000      -0.68873000       2.95224000       1.81316929      -0.91353169      -0.46187342
O        0.15944000       1.69535000       0.86733000       0.46524546       0.16355362       1.04226181
O        1.93388000       4.44292000       5.16213000      -0.37233614      -0.47879676      -0.53679976
O        2.53207000       7.05950000       1.61725000      -1.14715824       2.02228247      -0.18511822
O       -0.70588000      -0.94170000       4.20101000      -0.80522240       0.65055689       1.37883993
O        0.17998000       4.00637000       2.34029000       0.29723221      -0.63021219       0.91767517
O        1.86245000       2.41117000       3.77615000       0.68760852      -4.10355204      -2.06913135
O        0.32402000       2.29258000       5.99463000      -0.06651166      -0.83591406       0.43165441
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.5358897 magmom=22.002439 free_energy=-99.53948549 stress="-0.05048273222187815 -0.03803027827205204 -0.007632100956444066 -0.03803027827205204 -0.08379107196244516 -0.009087555024195745 -0.007632100956444066 -0.009087555024195745 -0.06659234376839561" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00956000       5.32856000       0.97896000       0.44993242       0.42547847      -0.25399978
Cr      -0.80071000       0.82716000       5.09073000       0.01887373       1.23102395       2.57271746
Cr       1.64217000       2.79201000       1.85355000      -0.56651287      -1.02667087      -2.06650778
Cr       0.47976000       3.44471000       4.31516000      -1.87929504      -1.42670329       0.19765682
Cr      -0.81798000       6.10537000       5.89452000      -0.38294534       3.07908775       1.66612086
Cr       0.70942000      -0.74003000       2.95401000       0.27804083      -0.19376169      -1.34632322
O        0.11953000       1.83662000       0.92117000       0.58472673      -1.11574947      -0.38233143
O        1.81014000       4.38845000       5.28667000       1.39486990      -0.36447682      -2.18616463
O        2.41841000       7.22859000       1.58434000      -0.02701125      -0.24635080      -0.08426955
O       -0.77547000      -0.81971000       4.21491000      -0.11114986      -2.04136234       0.48821963
O        0.04095000       3.99765000       2.33019000       1.65610302       0.30940375       2.63746031
O        2.03520000       2.10923000       3.72054000      -0.92916695       1.73175672      -1.67452420
O        0.39823000       2.26601000       6.00059000      -0.48646532      -0.36167537       0.43194552
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.83409419 magmom=21.9960846 free_energy=-99.83411333 stress="-0.042986937511053216 -0.026026274312490584 0.0007118786126279243 -0.026026274312490584 -0.03617916892399583 0.021241522300460725 0.0007118786126279243 0.021241522300460725 -0.0560651526640976" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05322000       5.32303000       0.96145000       0.70461547       0.43159973       1.34020948
Cr      -0.70065000       0.87598000       5.07151000      -0.09404968      -0.29871205       1.22916436
Cr       1.59016000       2.77081000       1.81850000       1.54909649       0.48270026      -0.56502605
Cr       0.44345000       3.44237000       4.39132000       0.21602046      -2.53930826      -1.15543056
Cr       1.97729000       6.22509000       5.90500000      -0.31456618       0.00355796       1.69412155
Cr       0.73134000      -0.81012000       2.89613000      -0.99895944       0.18606412       0.78382209
O        0.19615000       1.84038000       0.85095000      -0.61001691      -0.40340908       0.14362244
O        1.97142000       4.31504000       5.17899000      -0.58816452       1.50443315       0.44212969
O        2.38368000       7.31555000       1.57638000       0.41553295      -1.18192057      -0.35340239
O        2.10451000      -0.89388000       4.33414000       0.95188997      -0.14638850      -2.26125434
O        0.16068000       4.05381000       2.62586000       0.29353100       0.29491111      -1.77792652
O        2.08816000       1.93713000       3.48597000      -0.67948193       1.57733260       0.79908761
O        1.59548000       4.07404000       0.12372000      -0.84544769       0.08913954      -0.31911734
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.87435761 magmom=22.0051111 free_energy=-99.87665721 stress="-0.04458384854244904 -0.01053765463858153 -0.003660027311515742 -0.01053765463858153 -0.031227364892528586 0.014972443573681687 -0.003660027311515742 0.014972443573681687 -0.054017494005614695" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12542000       5.32064000       0.99845000       0.47979703       1.38781438      -0.01742077
Cr      -0.65154000       0.89038000       5.09541000      -0.33137756      -1.08677617      -0.91961863
Cr       1.61733000       2.75318000       1.75527000       1.30298483       1.08545856       0.32643552
Cr       0.40295000       3.33810000       4.37298000       1.20997690       1.34005299      -0.48703579
Cr       1.59481000      -1.75032000       5.97202000       0.34591142      -1.91078816      -1.07361567
Cr       0.71230000      -0.86337000       2.88117000       0.47061388       0.03263877       0.39012406
O        0.18202000       1.80708000       0.75200000      -0.26431594       0.72377367       1.65293625
O        2.06306000       4.48527000       5.22767000      -1.07199074      -1.50060660      -0.45272709
O        2.47058000       7.15968000       1.58253000      -1.15086083       0.03758392      -0.47550052
O        2.16249000      -0.95650000       4.15918000       0.32556973       0.82492580       1.68234190
O        0.36258000       4.14080000       2.58929000      -0.33094863      -1.34195400      -0.33258441
O        2.03172000       2.04086000       3.51540000      -0.61499299       0.70660564       1.18287937
O        1.55391000       4.08947000       0.24793000      -0.37036709      -0.29872879      -1.47621423
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56961527 magmom=21.999791 free_energy=-99.57819515 stress="-0.08098346127108835 0.024793783016359944 0.02715513705241554 0.024793783016359944 -0.08201454602700942 -0.029326757287557098 0.02715513705241554 -0.029326757287557098 -0.0668442430376525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20144000       5.35379000       1.01583000      -0.15756043      -0.01012578      -1.07097654
Cr      -0.65161000       0.82562000       5.05769000       0.15641022       1.84747997       1.31768970
Cr       1.72291000       2.77676000       1.72325000       0.17598365       1.38418385       0.81503529
Cr       0.43443000       3.31781000       4.31965000      -0.36454476       3.33569444       2.10362603
Cr       1.46052000      -1.73259000       5.99181000       0.64003310      -2.18555003      -0.80329124
Cr       0.91360000       7.18807000       2.90449000       0.71177122       0.08549339      -0.18859960
O        0.10861000       1.85426000       0.81851000       1.31961389      -1.25389906       0.10129868
O        1.90725000       4.43020000       5.28879000       0.02111646       0.18415997      -1.56178774
O        2.42706000       7.01965000       1.58047000      -1.05816416       1.61521332       0.63359483
O       -0.75125000      -0.83315000       4.18523000      -0.89253546      -1.38642505       0.89867222
O        0.47751000       4.04054000       2.42704000      -1.64049848      -0.48781192       1.72926420
O        1.90036000       2.25005000       3.80031000       0.42131829      -1.54215006      -2.45158872
O        1.48528000       4.19799000       0.17699000       0.66705647      -1.58626305      -1.52293713
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.26458103 magmom=21.9993921 free_energy=-100.26458299 stress="-0.0691547087640539 -0.023148202463147565 0.006620176772211206 -0.023148202463147565 -0.05785110778468302 -0.024775196033118903 0.006620176772211206 -0.024775196033118903 -0.05544538601221362" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.25348000       5.36874000       0.95358000      -0.58726282       0.14329996       0.29868562
Cr      -0.67945000       0.81844000       5.05070000       0.20566291       1.41872310       1.38205582
Cr       1.85393000       2.85052000       1.74218000      -1.30186815      -1.37535016       0.23951801
Cr       0.44293000       3.46592000       4.35297000      -2.10682688      -1.74915817      -0.70959447
Cr       1.38650000      -1.83929000       5.97102000       0.52980699       0.01765658       0.45404888
Cr       0.94757000       7.15594000       2.95379000      -2.11050752       0.36265805       1.28471789
O        0.24353000       1.74693000       0.87247000       0.49115524       0.21725864       0.02068301
O        1.77360000       4.40714000       5.18535000       1.99457018       1.88436722       0.30056237
O        2.29649000       7.10631000       1.66821000       1.64287742      -0.43028080      -1.26094303
O        2.15377000      -0.91776000       4.34483000       0.21130424      -1.35862626      -0.80945900
O        0.29482000       3.89423000       2.44724000       0.84610425       2.07007242      -0.49388022
O        1.88563000       2.22629000       3.76610000       0.07952581       0.06216654      -1.89010263
O        0.34719000       2.34064000       5.97792000       0.10545833      -1.26278713       1.18370773
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.81945306 magmom=21.9979792 free_energy=-99.81972098 stress="-0.03194924649096465 -0.02237269617759236 -0.002361281359923337 -0.02237269617759236 -0.028293606941639876 0.004681892328608868 -0.002361281359923337 0.004681892328608868 -0.052400856622211424" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.25676000       5.36329000       0.88666000      -0.53521834       1.41445920       0.50756068
Cr      -0.72419000       0.85203000       5.09182000      -0.12756538      -1.25859146      -0.43610509
Cr       1.91924000       2.83509000       1.77298000      -0.89734473      -0.66915596      -1.53562344
Cr       0.35878000       3.55722000       4.35247000       1.00704918      -1.62248527      -1.96317283
Cr       1.56235000       6.17493000       5.98042000       0.26219833       2.91662540       1.66656871
Cr       0.89624000       7.15348000       3.06178000      -0.83592194      -0.08594170      -1.31663616
O        0.46142000       1.66930000       0.83244000      -0.54281173       1.24416545       0.57187736
O        1.90522000       4.57824000       5.13717000      -0.45776368      -3.04213352      -0.74676418
O        2.41585000       7.12854000       1.66512000      -0.49121783      -0.96875491       0.51591748
O        2.08153000      -1.16518000       4.35109000       1.24174136       1.89896582      -0.07243635
O        0.23748000       4.13095000       2.38956000       1.17132275      -0.65078592       0.95171629
O        1.95917000       2.14737000       3.52233000      -0.34734227       0.72246693       1.78123937
O        0.35333000       2.26392000       5.96833000       0.55287427       0.10116596       0.07585814
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62669719 magmom=21.9999372 free_energy=-99.6338177 stress="-0.05437463455589578 -0.01302258068126218 -0.005382732301819394 -0.01302258068126218 -0.018843164397771246 0.002015887529545457 -0.005382732301819394 0.002015887529545457 -0.07506716094755289" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20966000       5.39124000       0.84736000       0.39614277      -0.60177621       0.40248237
Cr      -0.77896000       0.80468000       5.10449000       0.47106645       1.93172946      -0.67656950
Cr       1.93219000       2.75530000       1.73009000       0.30384805       2.51144431       0.02264708
Cr       0.33174000       3.53160000       4.21570000       1.93989171      -1.16798008       0.33637208
Cr       2.56101000      -0.00886000       0.04428000       0.97618343      -0.17448431      -0.17566099
Cr       0.61727000      -0.94918000       3.12120000       1.94259890      -0.63328260      -1.66053251
O        0.51763000       1.80590000       0.80925000      -1.11091291      -1.45991852       1.02133972
O        1.91031000       4.38854000       5.13196000      -1.19024196       1.88077995      -0.26269986
O        2.51190000       6.99847000       1.71787000      -2.09757403       1.10635351      -0.50984489
O        2.14020000      -1.04700000       4.33568000      -0.86689116       0.28961829       1.67849940
O        0.43866000       4.32494000       2.41513000      -0.08569310      -2.50444909       0.83392509
O        1.98103000       2.22729000       3.60946000      -0.67523777      -0.37549661      -0.23725209
O        1.57184000       4.14826000       0.02223000      -0.00318039      -0.80253810      -0.77270589
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.1128619 magmom=22.0011509 free_energy=-99.12179344 stress="-0.06573440831224493 -0.010314727200143651 0.006501698835674335 -0.010314727200143651 -0.08412748105305522 -0.023311219765116173 0.006501698835674335 -0.023311219765116173 -0.07393638045401693" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14534000       5.36935000       0.81893000       1.06644105      -0.59152590       0.73508973
Cr      -0.82659000       0.83309000       5.08710000       0.39480751       4.82938678       1.89516293
Cr       1.94994000       2.77125000       1.66937000      -1.57839283       2.17144340       1.66984010
Cr       0.40802000       3.42638000       4.09174000      -0.55861576       0.63995320       4.69018989
Cr       2.69878000       0.05355000       0.14481000       0.16286061      -1.29720163      -0.79523000
Cr       0.79874000       7.11733000       3.11210000       0.30914429      -0.49177211      -0.31410665
O        0.33885000       1.81431000       0.88928000       1.32971780      -1.49918889      -0.43788063
O        1.71748000       4.43403000       5.14904000       1.16167800       1.54843104      -0.57926814
O        2.34296000       6.96838000       1.73349000      -0.49792064       0.63388241       0.12566399
O        2.08095000      -0.81819000       4.47047000      -0.19795988      -3.80515178      -1.81765363
O        0.64929000       4.14969000       2.44399000      -0.86229490       0.53311010      -2.27648148
O        1.90109000       2.26597000       3.73905000       0.28632277      -1.61018573      -2.01491709
O        1.68943000       4.20774000       0.06811000      -1.01578801      -1.06118089      -0.88040902
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.22685093 magmom=21.9874285 free_energy=-99.23870135 stress="-0.059644688637563725 -0.0009950902599015132 0.012476316774625603 -0.0009950902599015132 -0.04507907066696351 -0.017056103618810214 0.012476316774625603 -0.017056103618810214 -0.05639691133732964" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10872000       5.32197000       0.80816000       1.00833129       2.62847239       0.43507925
Cr      -0.87525000       1.00953000       5.12369000       0.14470071      -2.89516684       0.21342000
Cr       1.91331000       2.85656000       1.67919000       0.52568534      -1.79341805      -0.23157429
Cr       0.47049000       3.36498000       4.19010000      -0.75449000       2.09636566       0.25220400
Cr       2.86261000       0.03484000       0.19499000      -0.55965276      -1.08614670      -1.19351187
Cr       0.80161000       7.06469000       3.09390000      -1.94459357      -0.10768841       0.26041644
O        0.28891000       1.71829000       0.91800000       1.30064775       2.28409291       0.28544805
O        1.72836000       4.66436000       5.12980000       0.69951364      -2.82842639      -0.60407141
O        2.18265000       7.00239000       1.73865000       1.33343537      -0.48875996      -1.06284926
O        1.99291000      -0.93612000       4.39456000       1.25692675       1.13165487       0.77288593
O        0.59383000       4.02928000       2.20001000      -2.72618671       0.92405276       2.16882883
O        1.88665000       2.10508000       3.54414000       0.59572699       1.00657359      -0.17453170
O        1.69816000       4.17340000       0.02889000      -0.88004480      -0.87160584      -1.12174396
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.11122715 magmom=21.9961253 free_energy=-100.11223423 stress="-0.057754721426278355 -0.03890368051237513 -0.003662243421745978 -0.03890368051237513 -0.05265563328959045 -0.005733629863736931 -0.003662243421745978 -0.005733629863736931 -0.047306149893858195" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10717000       5.36641000       0.80017000       0.93367600      -0.18573284       0.95138903
Cr       2.06179000       1.03570000       5.15140000       0.24375670      -2.98902869      -1.48092049
Cr       1.87795000       2.85498000       1.69824000      -1.34104379      -0.39199694      -0.31892126
Cr       0.48346000       3.41027000       4.28399000      -0.78193259       0.26576161      -2.21056792
Cr      -0.00640000      -0.02123000       0.16321000      -0.03963829       0.95011226      -1.03847990
Cr       0.73457000       7.01976000       3.10009000       0.83531368       0.23526937      -0.33464826
O        0.40461000       1.87436000       0.87858000      -0.84208934      -0.77237204      -0.07895931
O        1.91223000       4.47181000       5.10647000       0.55106652       0.03641105      -0.64258865
O        2.28761000       6.96294000       1.63818000      -0.41374763       0.51347449       0.39488046
O        2.07731000      -0.87168000       4.38056000      -0.57536888      -0.10879435       0.74909738
O        0.15959000       4.07400000       2.30434000       2.19811410       0.68368536       1.32050499
O        1.99348000       2.11053000       3.44587000      -0.41287724       0.96821667       1.56960568
O        0.46410000       2.23076000       5.87428000      -0.35522925       0.79499404       1.11960825
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62143568 magmom=22.0013966 free_energy=-99.62694259 stress="-0.060459854857719826 -0.0009120250670430955 0.007581550125188297 -0.0009120250670430955 -0.0772470880883297 -0.01051350772525266 0.007581550125188297 -0.01051350772525266 -0.08001698957883084" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12559000       5.37353000       0.82582000       1.03839364      -2.02786779       0.84015760
Cr       2.01689000       0.92690000       5.10466000       0.09978999       2.07603895      -0.19121412
Cr       1.80362000       2.82205000       1.72450000      -0.05541095       1.18481055       0.50516927
Cr       0.47140000       3.46961000       4.23962000       1.41701870      -1.39303990      -0.12433046
Cr       0.08524000      -0.02013000       0.07126000      -0.16970950      -0.02438054      -0.05583793
Cr       0.70704000       7.00478000       3.10659000       2.05042140       0.20189944      -0.06245072
O        0.33006000       1.90560000       0.79489000      -0.55624646      -1.46499121       1.48448981
O        2.09425000       4.32631000       5.11747000      -1.90814464       3.33845112       0.24840754
O        2.44691000       6.96983000       1.63159000      -1.61148507       1.45850944       0.12617317
O        2.09976000      -0.78306000       4.42423000      -0.65963667      -2.60049213      -1.21592547
O        0.05833000       4.23862000       2.50422000       0.98345091      -0.45322389      -1.17823004
O        2.01476000       2.24911000       3.65200000      -0.79514441      -0.35291632      -1.30627377
O        0.41332000       2.23602000       5.90899000       0.16670305       0.05720228       0.92986513
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.31913933 magmom=21.9988191 free_energy=-99.32720341 stress="-0.05603545068281651 0.006911481796851346 -0.00927745760175806 0.006911481796851346 -0.053721013752543206 0.003826745641150726 -0.00927745760175806 0.003826745641150726 -0.08968536224692364" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16261000       5.29762000       0.87864000       0.15781104       2.59837216      -1.05316858
Cr       1.97500000       0.86812000       5.04652000       0.00296162       0.62955487       1.32013865
Cr       1.72780000       2.81829000       1.77397000      -0.75877665       0.60113684      -0.63092160
Cr       0.50238000       3.49615000       4.18538000      -1.34860858       1.82833582       3.14709034
Cr      -0.80558000       6.24264000       5.98876000      -0.60590645       0.33515988       2.75014321
Cr       0.77837000       7.01964000       3.10957000       0.54912599      -0.10653593      -2.01558623
O        0.10735000       1.76205000       0.87644000       1.01680415       1.07417843       0.19898134
O        1.99158000       4.59995000       5.21176000      -0.01905369      -3.38917410      -1.96676601
O        2.50399000       7.07783000       1.68522000      -1.33766338      -0.33475613      -0.84245960
O        2.02899000      -0.95787000       4.29956000       1.22468835       0.80280419       0.77833000
O        0.18029000       4.31401000       2.46158000       0.30064607      -2.17613764       0.44532948
O        1.89911000       2.31471000       3.71221000       0.94422781      -1.09969280      -1.21241527
O        1.61778000       4.13223000       0.12773000      -0.12625628      -0.76324560      -0.91869573
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.79945776 magmom=21.9992647 free_energy=-99.80201103 stress="-0.07481623037923686 0.0051521676966415015 0.004873498526087094 0.0051521676966415015 -0.041698531337101385 -0.004755374533049733 0.004873498526087094 -0.004755374533049733 -0.07258848260557517" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19165000       5.32997000       0.88585000       0.63837087       0.92088763       0.53151019
Cr       1.92239000       0.83600000       5.03335000      -0.23628715       0.94831545       1.10831474
Cr       1.61556000       2.81889000       1.79276000       1.41728305      -0.85857724      -1.09120331
Cr       0.47254000       3.59749000       4.29027000      -1.52274939      -2.45101481      -0.77968613
Cr      -0.99842000      -1.82578000       5.99527000      -0.99899462      -1.40331057       2.06552693
Cr       0.89145000       7.05213000       3.00915000       0.13661949       0.22368731      -0.89990897
O        0.05918000       1.78414000       0.96884000       1.09467574      -0.04572215      -1.11888203
O        1.89430000       4.46217000       5.11525000       1.49591616       1.27913744       0.90311841
O        2.44191000       7.08629000       1.64203000      -0.26768191      -0.17040278      -0.58707559
O        2.16643000      -1.03659000       4.27986000       0.80174983       1.21954413      -0.03656428
O        0.35517000       4.03350000       2.39410000      -1.88935489       1.48630077       1.02506546
O        1.87836000       2.22686000       3.61188000       0.08806489      -0.06476636       1.14903497
O        1.70358000       4.14571000       0.28515000      -0.75761207      -1.08407883      -2.26925037
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.84698468 magmom=21.9992732 free_energy=-99.84930881 stress="-0.06206467473626488 0.0062337291097238805 0.030219803104993608 0.0062337291097238805 -0.055337481192135995 -0.013744798871802388 0.030219803104993608 -0.013744798871802388 -0.06225548205802406" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22177000       5.39854000       0.90028000       1.07514506      -3.17377319       0.71741582
Cr       1.85184000       0.82852000       5.05131000      -0.41833227       0.97731962       1.19342490
Cr       1.58327000       2.74707000       1.76574000       2.11086408       1.17080716       0.63205737
Cr       0.37510000       3.57786000       4.36707000       1.63316870      -3.59365416      -1.40288356
Cr       0.07359000       0.03818000       0.06750000      -0.09301620      -0.52129717      -1.29384142
Cr       1.02038000       7.11345000       2.85896000      -0.06583487       0.37938604       2.28580455
O        0.19180000       1.83019000       0.84002000      -1.10449748      -0.79094333       0.45181277
O        1.98121000       4.42787000       5.21125000      -1.29310077       2.37116994      -0.22477608
O        2.42026000       6.99243000       1.53914000       0.15146853       1.65079772       0.38410651
O       -0.55116000      -0.88452000       4.30700000      -0.41693755      -0.61848909      -0.52862521
O        0.21228000       3.95055000       2.47554000      -0.33215365       1.26633709      -0.61865656
O        1.88195000       2.13266000       3.69870000      -0.40005716       1.56218219      -1.20798983
O        1.75144000       4.14159000       0.13971000      -0.84671642      -0.67984281      -0.38784925
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56333418 magmom=22.0000241 free_energy=-99.57389169 stress="-0.04079484807197108 -0.0029231694803170108 0.027521703542261553 -0.0029231694803170108 -0.06851155134518863 -0.007447609143142978 0.027521703542261553 -0.007447609143142978 -0.0833774447684164" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24965000       5.31657000       0.93217000       0.01065221      -0.07519523      -0.31288526
Cr       1.79170000       0.86053000       5.09217000      -0.11778869       0.50865696      -0.46326678
Cr       1.67138000       2.69525000       1.76398000      -0.35563242       1.56473187       0.04278855
Cr       0.33844000       3.40273000       4.34588000       0.08483114       2.08882734      -0.14011591
Cr      -0.00904000       0.03934000       0.09150000       0.37277633       0.65093613      -1.71664244
Cr       1.13857000       7.19257000       2.84426000      -0.22817836       0.10078784       2.06832679
O        0.15930000       1.79973000       0.75521000       0.05765986       0.57189462       2.21233357
O        1.96804000       4.62852000       5.32166000       0.01741931      -3.62529075      -2.63445777
O        2.56037000       7.03599000       1.58310000       0.27231386       0.35467001       0.43997897
O       -0.48199000      -0.74569000       4.21095000      -0.55576114      -0.43516983       0.58935693
O       -0.02651000       4.12692000       2.46391000       1.04584356      -1.17889384       0.16365579
O        1.80919000       2.23193000       3.72409000      -0.00885077      -0.09389451      -0.90485636
O        0.57431000       2.29170000       5.98250000      -0.59528488      -0.43206062       0.65578391
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.84098593 magmom=22.0030252 free_energy=-99.84165908 stress="-0.09838581095465702 0.00903547820013228 0.002346938009944528 0.00903547820013228 -0.0625926077737459 -0.02092163812954822 0.002346938009944528 -0.02092163812954822 -0.08146501550174162" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23950000       5.23582000       0.93773000      -0.15336266       2.32097106      -0.84380044
Cr       1.75753000       0.90882000       5.10919000      -0.23420033       0.46116879       0.31809342
Cr       1.73078000       2.73233000       1.77947000      -2.28002824       1.94499014       0.06283435
Cr       0.31659000       3.36083000       4.30672000       0.49301001       1.28830465      -0.62389366
Cr       2.92358000       0.04803000       0.02028000       0.40918026      -1.11119203      -1.08299949
Cr       1.03733000      -0.83506000       2.94268000      -0.53311378      -0.22793848      -0.36964940
O        0.10743000       1.82790000       0.92809000       1.23643164      -1.15036756      -0.78402445
O        1.94097000       4.35104000       5.11406000      -1.24428033       1.74637237       0.97150437
O        2.81592000       7.09420000       1.69521000      -1.48059523      -0.08015577      -1.61245342
O       -0.59298000      -0.66756000       4.19802000       1.91111568      -0.91824335       2.53871348
O       -0.01929000       4.09227000       2.40732000       1.34648018      -1.36719492       1.46927151
O        1.74598000       2.26663000       3.62495000       0.57133420      -1.60286077      -0.09454594
O        0.47189000       2.26174000       5.98894000      -0.04197140      -1.30385413       0.05094967
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.13436061 magmom=21.996317 free_energy=-100.13562912 stress="-0.05790617299962539 0.0015129382856614458 0.0011004710823452307 0.0015129382856614458 -0.06157699519466113 -0.006451036524824068 0.0011004710823452307 -0.006451036524824068 -0.0772888335607899" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19085000       5.27495000       0.90419000       0.08133209      -0.02388656       0.17088336
Cr       1.75053000       0.96845000       5.15020000      -0.21244569      -1.34945269       1.43127157
Cr       1.68357000       2.82180000       1.78370000       0.47176181      -2.03657692      -1.31002916
Cr       0.31181000       3.40938000       4.23389000      -0.65510224      -2.13944513       1.20044685
Cr       1.94731000       6.24222000       5.93298000       0.25019503      -0.27716522       0.85078934
Cr       1.10444000      -0.78067000       3.02883000      -0.25100408      -0.28725684      -0.91548202
O        0.18937000       1.74566000       0.92656000      -0.55569268       0.42008088       0.34616123
O        1.76065000       4.28151000       5.11378000       0.83791286       1.76207543      -0.01240448
O       -0.07174000       7.04256000       1.60431000      -1.28129525       0.85234692       1.29350135
O       -0.55897000      -0.69712000       4.48065000       1.54620464      -1.04590764      -1.70617615
O        0.25497000       3.92982000       2.44476000      -0.70041666       1.69098625      -0.70536277
O        1.77282000       2.03710000       3.58790000      -0.10783764       1.74310665      -0.68239618
O        1.48496000       3.94840000       0.05092000       0.57638782       0.69109487       0.03879705
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97087182 magmom=22.0066332 free_energy=-99.98209946 stress="-0.04168361526000368 -0.0017621334460555876 0.012095187352268225 -0.0017621334460555876 -0.04719372291317359 -0.00010712710307450269 0.012095187352268225 -0.00010712710307450269 -0.07600621508831844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12457000       5.35173000       0.87906000       0.36980075      -0.47344391       0.31670523
Cr       1.78692000       0.95676000       5.26479000      -0.06252114      -1.69267790      -1.55562292
Cr       1.65851000       2.78430000       1.72482000       0.50736283      -1.01325516       0.68289761
Cr       0.28560000       3.39099000       4.21260000      -0.40281343      -0.07636294       0.69488990
Cr       1.96389000       6.17526000       5.89241000       0.38473184       2.01572728       1.91270781
Cr       1.15517000      -0.75970000       3.04761000      -0.31859123      -0.44466338      -0.27210369
O        0.13587000       1.73993000       0.86895000      -0.30561433      -0.21980909       0.87755810
O        1.70306000       4.46781000       5.18667000       0.29285998      -2.14726162      -1.73540148
O       -0.14324000       7.06914000       1.71263000      -0.39135476       0.85948883       0.13219046
O       -0.38551000      -0.77798000       4.48437000       0.41414411       0.46426800      -0.98500320
O        0.37537000       4.06892000       2.35180000      -1.44067394      -0.05428594       0.32133843
O        1.79199000       2.01613000       3.59213000      -0.14769132       1.16677014       0.10110094
O        1.39952000       3.82356000       0.05297000       1.10036064       1.61550569      -0.49125719
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.30462232 magmom=21.9972114 free_energy=-99.31330592 stress="-0.08544335238248908 -0.00011912473164456752 0.032685814703656925 -0.00011912473164456752 -0.030265584056386702 -0.011076023897502126 0.032685814703656925 -0.011076023897502126 -0.0727809686124213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04971000       5.44345000       0.87911000       0.03210266      -0.59437406      -0.13650177
Cr       1.86226000       0.83072000       5.30923000      -0.51894186       1.39071369      -3.33456465
Cr       1.65989000       2.66494000       1.69901000      -1.93442967       2.97109664       1.86654172
Cr       0.23042000       3.37568000       4.22974000       1.23851890       0.81865296      -0.33022559
Cr       2.01604000       6.17197000       5.96246000       0.21889455       0.23835342      -0.26779388
Cr       1.19216000      -0.77723000       3.03717000      -0.60326407      -0.18005750       0.15637523
O        0.00353000       1.67959000       0.88264000       1.75007098      -1.27619521       0.54608120
O        1.79896000       4.38710000       5.04564000      -0.58270629       1.21897573       0.71204603
O        2.79302000       7.22391000       1.83523000       1.33943430      -0.42287719      -3.32836566
O       -0.23899000      -0.72637000       4.29110000      -1.29742604      -0.17392337       2.98626119
O        0.15006000       4.22685000       2.30972000       0.20369692      -2.79628328       1.44764901
O        1.76947000       2.26131000       3.67042000      -0.49823742      -1.74016352      -0.78312557
O        0.32673000       2.11124000       5.92682000       0.65228704       0.54608170       0.46562274
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.23286241 magmom=21.99864 free_energy=-99.2330239 stress="-0.04160088114799684 -0.012102374524924788 0.019353877816864474 -0.012102374524924788 -0.10295237617912444 -0.022339210399992378 0.019353877816864474 -0.022339210399992378 -0.08604956234547996" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.94965000       5.50089000       0.89753000      -0.55796744      -4.30300957      -0.90336225
Cr       1.93827000       0.77466000       5.20694000      -1.93188297       4.37544762       0.94246196
Cr       1.57672000       2.66598000       1.78623000      -0.37268915       0.69183955      -1.07938631
Cr       0.22673000       3.41927000       4.22345000       0.42662293      -0.12994249       0.75006520
Cr       0.24875000       8.04654000       0.01127000       0.85327677       1.11307990      -4.19115212
Cr       1.20243000      -0.81428000       3.01433000       0.01815802       0.10410390      -0.48910010
O        0.12262000       1.57411000       0.92913000      -0.21881536       2.53971701       1.21909778
O        1.82929000       4.45053000       5.07029000      -0.80003084       0.86931660      -0.17237632
O       -0.03273000       7.23242000       1.57486000      -0.99224305      -0.44699933       4.84774117
O       -0.33356000      -0.68157000       4.40780000       1.37234472      -3.06585344      -1.58632862
O       -0.08710000       3.96521000       2.34544000       1.54983967       0.82165362      -0.56406785
O        1.68635000       2.25136000       3.64513000       0.46126328      -1.64470455      -0.26928287
O        0.47750000       2.29731000       5.84201000       0.19212343      -0.92464881       1.49569034
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.67896837 magmom=22.0000589 free_energy=-99.6817993 stress="-0.07305561408177054 -0.04031517840258327 -0.03654856765464543 -0.04031517840258327 -0.04741466371670576 -0.025349807600937378 -0.03654856765464543 -0.025349807600937378 -0.07661027741043418" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.84946000       5.37962000       0.89198000       0.25420613      -0.23512122       0.52218395
Cr       1.96002000       0.90855000       5.14536000      -0.31430562      -1.21869342       1.19625820
Cr       1.48357000       2.70299000       1.83329000       2.35728967       0.38616688      -1.18670786
Cr       0.24845000       3.46742000       4.23755000      -0.31036478      -0.57748253       1.00239520
Cr      -0.79807000       6.24644000       5.98416000       0.02537663       0.91727078       1.27581116
Cr       1.21693000      -0.85663000       2.96856000       0.55339326      -0.17131516       1.99588362
O        0.18374000       1.79876000       0.94800000      -2.01713031      -1.50931434      -1.29984525
O        1.74899000       4.60248000       5.16058000      -0.08906328      -2.28005902      -1.47436933
O        0.00256000       7.10500000       1.78748000      -1.20148828       0.73873232      -2.39800127
O       -0.39441000      -0.92832000       4.35564000       0.97647600       1.07502496       0.37896958
O       -0.01568000       3.86237000       2.29617000       0.61089054       1.70198946       1.49344529
O        1.68421000       1.98045000       3.62066000      -0.09243647       2.21709047      -0.85697264
O        0.56703000       2.29166000       5.97444000      -0.75284348      -1.04428919      -0.64905064
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.04796167 magmom=21.9978845 free_energy=-100.05365232 stress="-0.05856679916671519 -0.0037292894256667963 -0.0019379306686235726 -0.0037292894256667963 -0.04137327265261266 0.00382272052312299 -0.0019379306686235726 0.00382272052312299 -0.07365367074890723" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.80032000       5.26402000       0.90646000       0.24981262       1.60804833       0.14981570
Cr       1.97149000       0.99220000       5.15380000      -0.82512645      -1.88607830      -1.14620906
Cr       1.49755000       2.73467000       1.79398000       0.69206540       0.38801330      -1.45577151
Cr       0.24427000       3.49265000       4.29019000      -0.09981687      -1.42058953      -0.52793751
Cr      -0.92027000      -1.77921000       5.98097000      -0.82922298      -2.39679521       0.75988595
Cr       1.23256000      -0.91366000       3.00476000      -1.58878639      -0.24316093      -0.11283930
O       -0.01955000       1.82148000       0.75699000       0.57747801       0.06328672       2.05291013
O        1.74178000       4.42053000       5.12361000       0.27082483       0.64708124       0.30986880
O       -0.11818000       7.06784000       1.70537000       0.90338717       0.81946689      -1.04053814
O       -0.36437000      -0.95653000       4.32292000       1.17420242       1.23813781       0.55297127
O        0.16927000       4.06101000       2.41238000      -0.59133289      -0.77435560       0.48847460
O        1.70947000       2.05382000       3.57840000      -0.03798172       1.66819337      -0.05855297
O        0.46730000       2.10616000       6.01823000       0.10449685       0.28875192       0.02792206
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74075792 magmom=21.9991565 free_energy=-99.7485803 stress="-0.06573814208910969 0.0001354177917611017 0.014487566251222633 0.0001354177917611017 -0.07123130749655739 -0.01080789910125744 0.014487566251222633 -0.01080789910125744 -0.062478542827579885" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.81046000       5.25948000       0.94034000      -0.02116540       0.22378202      -0.46031383
Cr       1.94471000       0.97464000       5.11604000      -2.14213545      -0.99373983      -1.45849421
Cr       1.54918000       2.77811000       1.70200000      -0.82582806       0.62301753       0.97405776
Cr       0.23689000       3.46770000       4.30728000       0.83290697      -0.56821384      -0.44067649
Cr      -0.91480000      -1.82250000       6.01743000      -0.04825332      -0.89534955      -1.14038149
Cr       1.38051000       7.11434000       3.03217000       0.25618649       0.29996313      -1.34530696
O       -0.07301000       1.79377000       0.77641000       1.17202546      -0.17620711       0.86052630
O        1.79436000       4.32063000       5.20256000      -0.49204000       1.71824512       0.01812390
O        2.85514000       7.09669000       1.50725000      -0.10045098       0.40580313       3.01513337
O       -0.25805000      -0.72424000       4.35627000      -0.40536052      -0.66498572       0.06024887
O        0.21635000       4.16177000       2.50909000      -0.00460865      -0.45300692      -0.67583328
O        1.75389000       2.35317000       3.61292000      -0.05137380      -1.63686494       0.19784538
O        0.32558000       1.95958000       6.00184000       1.83009725       2.11755698       0.39507069
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.87107773 magmom=21.9976294 free_energy=-99.87545855 stress="-0.06704451075210696 0.0021293421497415974 0.0053592507021557965 0.0021293421497415974 -0.07632578364483897 -0.014571779775654558 0.0053592507021557965 -0.014571779775654558 -0.058631858835322744" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.86048000       5.33066000       0.96886000      -0.21509724      -0.20621707      -0.73826679
Cr       1.80718000       0.90528000       4.99664000      -1.47744889       0.51832169       1.96560336
Cr       1.57877000       2.85221000       1.66619000       1.10465922      -0.35435539       1.06451436
Cr       0.27229000       3.44502000       4.30136000       0.22715952       0.93601042       0.91982295
Cr       0.38908000       8.02575000       0.00782000       0.27152875       2.74208563       0.76811193
Cr       1.32883000       7.05543000       2.98374000       1.31261824       0.96813009       2.14017752
O        0.15547000       1.76471000       0.93342000      -0.68641433      -0.05386192      -0.37233471
O        1.80489000       4.47221000       5.32484000      -0.39261307      -0.97477009      -2.35603080
O       -0.11001000       7.10315000       1.79930000      -0.63625390       0.23519683      -1.97035966
O       -0.24397000      -0.55356000       4.35734000       0.53537083      -3.00099940      -0.27412095
O        0.20074000       4.12097000       2.40331000      -0.27288859      -0.97823580       0.91388077
O        1.78581000       2.35494000       3.72110000      -0.43233640      -0.43414622      -2.17025835
O        0.39141000       2.08343000       5.97449000       0.66171585       0.60284124       0.10926036
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.92324061 magmom=22.0014402 free_energy=-99.92324713 stress="-0.06467508789278172 -0.02251668809896043 0.009596108725093687 -0.02251668809896043 -0.06149770599623519 -0.03531964563416503 0.009596108725093687 -0.03531964563416503 -0.04502816008136323" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93726000       5.43410000       0.97918000      -0.07254902      -3.21156441      -1.80566092
Cr       1.60518000       0.85180000       4.95552000       0.83637149      -0.76910292       1.39587144
Cr       1.66441000       2.89744000       1.70046000       0.11409085      -2.01743630      -0.53687081
Cr       0.32066000       3.48484000       4.32950000      -0.54452602      -1.64985648      -1.40213770
Cr       0.34127000       8.03396000       0.05279000       0.32803539       2.26436474       0.21252374
Cr       1.33623000       7.04592000       3.02830000       0.22157586       0.34839755       1.69269920
O        0.31154000       1.74645000       0.96104000      -1.52354577       0.13114256      -0.90448572
O        1.80524000       4.48757000       5.15586000       0.18818658       0.15817276      -0.21101793
O       -0.17014000       7.04332000       1.85153000       0.46448656       2.11829585      -1.83980588
O       -0.28323000      -0.78012000       4.34670000      -0.87314575      -0.46095015       1.37287247
O        0.11503000       3.96266000       2.31953000       1.10974955       2.01187083       1.40804553
O        1.75101000       2.19233000       3.56000000       0.12704158       1.38563972      -0.04293026
O        0.55764000       2.25913000       5.92549000      -0.37577128      -0.30897374       0.66089683
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.7871377 magmom=22.000401 free_energy=-99.7871381 stress="-0.03254355858966732 -0.013540055889199007 0.016122060149087906 -0.013540055889199007 -0.06605719275641049 -0.007871964349162971 0.016122060149087906 -0.007871964349162971 -0.06141315833261222" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02304000       5.41263000       0.92688000       0.29892653      -0.12826224      -1.09732039
Cr       1.46621000       0.79819000       4.98987000       1.34155506       0.30583453       0.31124392
Cr       1.75266000       2.83847000       1.71534000      -1.03183163       0.76577772      -0.92517733
Cr       0.33606000       3.46319000       4.28414000       0.07235324      -0.80102572      -0.77686423
Cr       0.11619000       0.05693000       0.10359000       0.08802852      -1.56217936      -1.18012179
Cr       1.36096000       7.04833000       3.14540000      -1.74797087      -0.54752333      -2.48571352
O        0.18414000       1.80849000       0.79639000       0.09692170       1.84731257       0.95956709
O        1.86821000       4.47540000       5.01792000      -0.25321534       0.61313892       1.01591407
O        2.78299000       7.18648000       1.61019000      -0.24705752      -0.16344436       3.58985644
O       -0.46437000      -1.05813000       4.46880000       1.70201934       1.67117919      -1.03372605
O        0.18265000       4.10108000       2.37548000       0.52710605      -0.61301886       0.45464128
O        1.72511000       2.17953000       3.48644000       0.34119897      -0.25238541       1.30655388
O        0.69212000       2.31636000       5.97666000      -1.18803405      -1.13540365      -0.13885337
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65456495 magmom=21.9988332 free_energy=-99.6579336 stress="-0.05586553979005608 0.012705404676193362 0.011322175467110649 0.012705404676193362 -0.027899552383731804 0.0072710831245204 0.011322175467110649 0.0072710831245204 -0.07629011830104468" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09421000       5.37923000       0.83723000       0.20498269       1.15456630       0.85438186
Cr       1.42699000       0.79396000       5.03201000       1.03145621       0.06813337      -1.34760474
Cr       1.75508000       2.80591000       1.70541000      -1.70857147       2.51870860       1.11789037
Cr       0.34361000       3.41574000       4.20343000      -0.08239729       0.94389506       1.99141673
Cr       0.08637000       0.10796000       0.10962000      -0.01912368      -1.58033787       0.09576009
Cr       1.30027000       7.01417000       3.12247000      -0.90357720      -0.44669969      -1.06111650
O        0.10401000       2.00368000       0.72037000       1.83574419      -2.08394236       1.42590563
O        1.93010000       4.52280000       5.14521000      -0.41252528      -0.42828353      -0.53525740
O        2.80596000       7.24241000       1.85298000       0.02041045      -0.30752997      -1.54777749
O       -0.46915000      -1.04561000       4.40255000       0.92599258       1.28073703       1.15573864
O        0.34606000       4.19113000       2.41826000      -0.33785776      -1.52896174      -0.06022601
O        1.76237000       2.15810000       3.65504000       0.60836408       0.55135419      -1.73492944
O        1.79648000       4.12486000       0.01919000      -1.16289753      -0.14163939      -0.35418172
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.78499898 magmom=22.0049031 free_energy=-99.78726802 stress="-0.06070979011130007 0.015421643368920641 0.006182706676280069 0.015421643368920641 -0.04863073083733766 -0.0010245544646509425 0.006182706676280069 -0.0010245544646509425 -0.07532396494447711" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18613000       5.39138000       0.78725000       0.07780871      -1.15747996       3.14428650
Cr       1.47239000       0.81514000       5.02296000       0.47818035       0.14325766       0.56029818
Cr       1.67293000       2.87970000       1.74813000       2.50276284      -1.06323340      -1.26429972
Cr       0.35109000       3.42271000       4.22102000       0.54859783       0.62866984       1.98114458
Cr       0.05631000       0.08022000       0.11305000       0.41516914      -0.46349889      -0.31588523
Cr       1.20456000       6.94502000       3.03833000       1.93518992       0.46385496       2.04409177
O        0.26347000       1.86831000       0.83610000      -1.06124917       0.42893064       0.98733489
O        1.94857000       4.50563000       5.27455000      -0.43050591       0.93169348      -3.53853128
O        2.80085000       7.10549000       1.85826000      -1.72394867      -0.01393786      -2.88281776
O       -0.42197000      -0.75993000       4.41337000      -0.34547687      -0.66238015       0.48490080
O        0.42915000       4.06866000       2.38002000      -2.30455453       1.31188415       0.86198437
O        1.88008000       2.21091000       3.65617000      -0.56275834       0.35436315      -1.02814664
O        1.58079000       4.14234000       0.05325000       0.47078471      -0.90212361      -1.03436046
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75732164 magmom=21.9993595 free_energy=-99.75732513 stress="-0.04288392119696072 0.02832703073481273 0.03749567691856811 0.02832703073481273 -0.07353703262825692 -0.03917740736265274 0.03749567691856811 -0.03917740736265274 -0.026231511610133713" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28335000       5.35512000       0.84779000       0.19256075      -1.57763466      -1.18829002
Cr       1.57208000       0.86734000       5.02844000      -1.16368227       2.14660895       1.16762105
Cr       1.68310000       2.90806000       1.75600000       0.31471707      -0.77780316      -0.14825800
Cr       0.38554000       3.47855000       4.33602000       0.08682942      -0.37013765      -1.77266292
Cr       0.05645000       0.02875000       0.09310000       0.35516494       0.62834647      -0.83814161
Cr       1.17839000       6.90106000       3.02451000      -0.09106693       1.15751469       0.08236768
O        0.24534000       1.71654000       1.09923000      -0.83129594       0.92234335      -0.38824069
O        1.91418000       4.55462000       5.02953000      -0.06458277       0.28516933       0.28600306
O        2.58289000       6.89782000       1.47534000      -1.44048054       2.45496768       3.49698273
O       -0.47699000      -0.57787000       4.45619000       1.41541686      -3.52939596      -1.68623489
O        0.16402000       4.11527000       2.38505000       0.76101638       0.28016174       0.50204393
O        1.88998000       2.30688000       3.57288000      -0.65077662      -0.34765182       1.08399741
O        0.31412000       2.25223000       5.97155000       1.11617964      -1.27248895      -0.59718775
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47852669 magmom=21.9974243 free_energy=-99.47857773 stress="-0.06752612202391213 0.012931849579514224 0.04984928064929607 0.012931849579514224 -0.030070742273060638 -0.023381423573198105 0.04984928064929607 -0.023381423573198105 -0.03712219903714626" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.34023000       5.28349000       0.87202000      -0.42207460       2.09459733      -1.18116133
Cr       1.65627000       0.96432000       5.06109000       1.32536539      -3.27011600      -0.52845117
Cr       1.71516000       2.85318000       1.76678000      -2.04035603       0.43778888       1.29218835
Cr       0.41265000       3.53023000       4.33910000      -1.26029724       0.02699738      -1.83879229
Cr       0.06514000       0.01830000       0.04157000      -0.34548708       0.21855568       0.23709741
Cr       1.15849000       6.93583000       3.02596000      -1.04115785       0.42219799       0.53259615
O        0.08974000       1.73742000       1.19213000       1.32780107      -0.41338129      -1.63259207
O        1.90310000       4.62223000       4.92187000       0.20846373      -0.12364445       1.46904888
O        2.35896000       6.92395000       1.57356000       1.91396645      -0.06225159      -1.44670337
O       -0.48098000      -0.83072000       4.29703000      -0.79743667       0.65193798       1.64772793
O        0.00744000       4.24057000       2.39751000       1.14979197      -1.62918344       1.07836446
O        1.77042000       2.32161000       3.69649000       0.75226866       0.34312287      -1.41506985
O        0.37058000       2.09941000       5.84409000      -0.77084782       1.30337869       1.78574692
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.28527383 magmom=21.9956369 free_energy=-100.28704909 stress="-0.03895774139984255 -0.000546807791741808 0.01802167275764058 -0.000546807791741808 -0.04086032377461091 -0.01215611165283083 0.01802167275764058 -0.01215611165283083 -0.058872470528812254" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.34925000       5.30619000       0.85505000      -0.63448319       1.23992353      -0.26670296
Cr       1.81864000       0.93122000       5.07178000      -0.11496358      -1.33710072       0.64905170
Cr       1.64723000       2.78076000       1.83245000      -0.12166769       0.46848351      -1.79419284
Cr       0.37439000       3.60054000       4.23019000      -0.32538800      -0.21221269       1.89386595
Cr       0.04541000       0.03404000       0.00348000      -0.50265316      -0.32478519       1.62167437
Cr       1.09377000       7.01661000       3.05059000      -1.34572354      -0.01376931      -1.30776051
O        0.12989000       1.74587000       0.94533000      -0.04344125       1.08574090       0.46703488
O        1.93986000       4.62218000       5.12916000      -0.36174359      -2.37768093      -1.06756836
O        2.47765000       6.95549000       1.58765000       0.49042165       0.34600062       0.54800334
O       -0.66772000      -1.00432000       4.32984000       1.10772585       1.55861150       0.16288592
O        0.10714000       4.14611000       2.43373000       0.48426555      -0.80803501      -0.66707077
O        1.76151000       2.31668000       3.70792000       0.58997106      -0.01109425      -0.71872247
O        0.33349000       2.05942000       5.99370000       0.77767988       0.38591805       0.47950176
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.977751 magmom=21.9943389 free_energy=-98.98239884 stress="-0.07242042559706287 0.013905240970796222 -0.01229200393035719 0.013905240970796222 -0.08175278630928828 0.0022506946133063937 -0.01229200393035719 0.0022506946133063937 -0.1483212763530047" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.30288000       5.36433000       0.83438000       0.10568110      -2.80898530       2.20211193
Cr       1.99948000       0.84776000       5.10118000      -0.13174048       3.46876672      -0.70714739
Cr       1.57425000       2.71990000       1.81154000       2.26961584       0.30648236      -2.47189325
Cr       0.32219000       3.66342000       4.20123000       1.15700045      -2.54548837       0.64392745
Cr      -0.00398000       0.02794000       0.03048000      -0.12099168      -1.05144904       0.30843840
Cr       0.98094000       7.10492000       3.03717000       1.81905063       0.15829123       1.27010998
O        0.17719000       1.83579000       0.71689000      -0.64810873      -1.60738773       3.25598517
O        1.93163000       4.37567000       5.25876000      -1.26812169       2.92785420      -2.28305622
O        2.75595000       7.03132000       1.68698000      -3.12157330       0.78959249      -1.18114384
O       -0.79436000      -0.89659000       4.37071000       1.13332387      -1.20219022      -1.04909467
O        0.27918000       3.96208000       2.30660000      -1.58913865       1.45513975       1.01042880
O        1.86083000       2.27147000       3.67253000      -0.26220301      -0.08667302       0.18708905
O        1.51543000       3.93097000       0.18222000       0.65720565       0.19604694      -1.18575542
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.32294687 magmom=21.9983213 free_energy=-100.32594876 stress="-0.05880332468773471 -0.013248746732679824 -0.006615332094103168 -0.013248746732679824 -0.052276908171446465 -0.01738897601444766 -0.006615332094103168 -0.01738897601444766 -0.0711653368734514" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23822000       5.30501000       0.88007000      -0.04406716       0.74099760      -0.14821446
Cr      -0.86296000       0.90778000       5.10805000      -0.42039538       0.39506769       0.71785784
Cr       1.62593000       2.69061000       1.69120000       0.37557991       1.32891947       1.49587898
Cr       0.32771000       3.59597000       4.22706000       0.01986215      -1.53733994      -0.10528765
Cr       3.13575000       8.07490000       0.06732000       0.22143829       0.67018493      -1.29862508
Cr       0.77046000      -0.90798000       3.07063000       0.79304079      -0.07177282      -1.32171998
O        0.09110000       1.72665000       0.89412000       0.82940457      -0.00042657      -0.13163313
O        1.79422000       4.52593000       5.12320000       0.62197691      -0.43299968      -0.16807479
O        2.62775000       7.11825000       1.65813000      -1.48162263      -0.95252682       0.46312511
O       -0.74783000      -0.83963000       4.29393000       0.35805565      -0.95190969       1.38899187
O        0.19925000       3.99635000       2.30901000      -0.05200394      -0.43135326       0.84491051
O        1.90654000       2.21562000       3.70781000      -0.60670024       0.91493846      -1.21463081
O        1.66197000       3.96886000       0.11642000      -0.61456892       0.32822062      -0.52257842
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.1144368 magmom=22.001351 free_energy=-100.11767289 stress="-0.04438661667306736 -0.026421064032792558 0.011593340496209045 -0.026421064032792558 -0.04882013699647165 -0.031069105074785525 0.011593340496209045 -0.031069105074785525 -0.034680087912065484" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14531000       5.26029000       0.91865000       0.44742379       2.25884052      -0.38287327
Cr      -0.79373000       0.99152000       5.12386000      -0.81290072      -1.77427736      -0.04399178
Cr       1.70825000       2.71340000       1.66795000      -0.68250765       0.62383626       1.78693297
Cr       0.33939000       3.47194000       4.24821000      -0.01988168       0.69094643      -0.11094309
Cr       3.09579000       8.04928000       0.05134000      -0.11813928       0.21769333      -0.38187996
Cr       0.80358000      -0.82484000       3.06388000      -0.54228314      -0.66133670      -0.38857510
O        0.14365000       1.61615000       1.00702000       0.97808707       1.44173399      -0.31077061
O        1.78027000       4.59942000       4.99954000       0.61470442      -1.94273055       0.08375674
O        2.35493000       7.01356000       1.64885000       0.91056639      -0.05587301       0.02742435
O       -0.66863000      -0.82930000       4.40505000      -0.26345153       0.01211607      -0.15954186
O        0.10258000       4.01752000       2.37810000       0.95230731      -0.73705306      -0.32160864
O        1.87203000       2.24607000       3.63845000      -0.42605317      -0.28410642      -0.47941270
O        0.59481000       2.20326000       5.95169000      -1.03787179       0.21021048       0.68148295
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74895783 magmom=22.00307 free_energy=-99.75071516 stress="-0.06599188016937016 -0.007887787417400817 0.01056751919869233 -0.007887787417400817 -0.08715275718495867 -0.03572986845321467 0.01056751919869233 -0.03572986845321467 -0.054639701487023476" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02525000       5.29688000       0.92970000       2.08280387      -0.05852776      -1.22233283
Cr      -0.78318000       0.99581000       5.14553000      -0.37168003      -0.20055153       0.98973886
Cr       1.76673000       2.75859000       1.76515000       0.39667613       0.09535790      -1.10882717
Cr       0.34989000       3.38569000       4.24421000       0.66370582       0.64886954      -1.07551482
Cr       3.04410000       8.04553000       0.00081000       0.19045493      -0.03416675       0.02698225
Cr       0.81096000      -0.77419000       3.03434000      -0.99445650      -0.75368711       0.55613442
O        0.36073000       1.71985000       0.97176000      -1.19391212      -0.35352040      -0.55964330
O        1.90910000       4.36394000       4.99951000      -0.97504468       1.85239461       1.11451521
O        2.32446000       6.85430000       1.69248000       0.64119696       2.68514743       0.00734468
O       -0.67441000      -0.74255000       4.46393000      -0.31784222      -1.71036555      -1.59256774
O        0.21184000       3.96428000       2.29047000       0.72664773      -0.07415459       1.41897166
O        1.79489000       2.19611000       3.56692000       0.50793972      -0.80895638       0.61593588
O        0.52867000       2.35894000       5.89458000      -1.35648961      -1.28783940       0.82926288
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.0310041 magmom=21.9993983 free_energy=-99.04343878 stress="-0.07435053533643475 0.004132426977179369 -0.018031846511138407 0.004132426977179369 -0.06783807276861245 0.014074100106853839 -0.018031846511138407 0.014074100106853839 -0.12160651325239961" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.91888000       5.33319000       0.87087000       1.25111162      -0.90249627       2.01384093
Cr      -0.82197000       0.92728000       5.22476000       0.07943363       0.75930963      -1.64480821
Cr       1.88244000       2.77890000       1.83696000       0.56989126      -0.68836817      -2.50702789
Cr       0.39825000       3.33754000       4.18318000      -0.15153538       0.10849456       2.38672802
Cr       1.85498000       6.18899000       5.94280000       0.57802823       0.95579876       0.51187388
Cr       0.76524000      -0.76729000       3.03050000      -0.01848693      -0.32366391      -1.42010549
O        0.39917000       1.88051000       0.77873000      -0.38376477      -2.70674103       2.79696282
O        1.92133000       4.32363000       5.24950000      -0.59898120       1.60602242      -3.15383797
O        2.56381000       7.04773000       1.74185000      -1.37972518       0.99043873      -1.62445149
O        2.18761000      -0.74953000       4.23163000       0.80955337      -1.15870362       2.57735561
O        0.46809000       3.97555000       2.33964000      -1.48017927       0.80137175       1.26083744
O        1.81291000       1.99496000       3.64570000       0.25508862       1.43540150      -0.57534551
O        1.42728000       4.26203000       0.04218000       0.46956598      -0.87686434      -0.62202213
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.2362954 magmom=21.9999361 free_energy=-99.24391244 stress="-0.04875029841653773 -0.008241366094461489 -0.006411996109935997 -0.008241366094461489 -0.05220020164708174 0.010037329568552895 -0.006411996109935997 0.010037329568552895 -0.09039762682823439" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.88699000       5.34544000       0.87013000       0.58797447       1.86128326       1.64267307
Cr      -0.87304000       0.84482000       5.24432000       0.50830825       0.18426775      -0.60790368
Cr       2.02567000       2.75659000       1.78468000      -2.41428298       0.84304559       0.84128947
Cr       0.44942000       3.30878000       4.23777000      -0.98161104       0.70288824       2.49178040
Cr       1.86244000       6.23383000       5.88136000       0.40170049       1.02180887       0.77864625
Cr       0.72105000      -0.78507000       2.97962000       0.92936966       0.10369302      -0.64988631
O        0.30511000       1.71559000       0.90028000       1.47551402      -0.23791439       0.16640775
O        1.77900000       4.49833000       5.15492000       0.34970100      -2.39342064      -1.35479751
O        2.63522000       7.38809000       1.57527000      -2.31650651      -1.85209812       0.94233254
O        2.14312000      -0.86534000       4.29799000       0.73487545       0.00343299      -0.50320153
O        0.48648000       4.08710000       2.55225000      -0.53954131      -0.38491017      -1.76642577
O        1.91153000       2.03638000       3.69589000       0.10724033       0.90339544      -0.75460967
O        1.27693000       4.18087000       0.14899000       1.15725815      -0.75547185      -1.22630500
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86523088 magmom=21.9965637 free_energy=-99.86529929 stress="-0.048157960132681026 -0.04563663373984992 0.0010662171434925984 -0.04563663373984992 -0.03875845234153601 -0.024510409832588665 0.0010662171434925984 -0.024510409832588665 -0.025071096125434112" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90013000       5.41741000       0.93794000       0.98100488       0.31270418       0.04144371
Cr      -0.88998000       0.77316000       5.20482000       0.78035714       1.58676130       0.02288708
Cr       2.04042000       2.75782000       1.77013000      -2.03591476       0.56705621       1.16772227
Cr       0.43567000       3.31839000       4.37161000      -1.52717357       0.73524350      -1.55007359
Cr       1.70175000      -1.81208000       5.87821000      -0.42516537      -2.05031216       0.96701654
Cr       0.72219000      -0.79038000       2.90273000      -0.24475917       0.08940026      -0.05902791
O        0.40331000       1.56102000       1.03762000       0.61952352       1.73923353      -0.56009356
O        1.76285000       4.43289000       4.98798000       1.77356579       0.95182200       1.83520925
O        2.37415000       7.32379000       1.55100000       0.15717274      -1.12003020       0.19395571
O       -0.77369000      -0.90175000       4.27785000       0.13672749       0.08439376      -1.34542942
O        0.35583000       4.08674000       2.47159000       0.26268622      -0.73159936      -0.24504697
O        1.99375000       2.20801000       3.69778000      -0.91261319      -1.58785532      -0.38093737
O        1.33194000       4.13491000       0.08219000       0.43458828      -0.57681770      -0.08762574
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.60258192 magmom=22.0012064 free_energy=-99.60669743 stress="-0.06369072461502243 -0.0145553706359513 0.017149196488886877 -0.0145553706359513 -0.07098554629589562 -0.03436039869469053 0.017149196488886877 -0.03436039869469053 -0.048404498501093095" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02227000       5.45672000       0.99082000       2.01490834      -3.50075130      -1.30518576
Cr      -0.85004000       0.76004000       5.15854000       0.64267869       1.95347422       0.54991692
Cr       1.94460000       2.76768000       1.81363000      -1.33628834      -0.30046969      -0.66414033
Cr       0.35949000       3.37329000       4.40106000       1.17112404       0.10128326      -1.23420655
Cr       1.91967000       6.25672000       5.91795000       0.13294074       0.22204748       0.33760417
Cr       0.70533000      -0.78376000       2.84709000      -0.89872062       0.15700587       0.51409965
O        0.53369000       1.68805000       0.96081000      -1.31321588      -0.54172639      -0.44556205
O        1.97367000       4.46770000       5.20425000      -1.24198745      -0.28711776      -0.88500485
O        2.24282000       7.02566000       1.58156000       0.78180703       2.78461903      -1.15788496
O       -0.75470000      -0.84312000       4.08275000      -0.91911661      -0.81777006       2.18199858
O        0.25668000       3.99290000       2.31618000       1.48033535       0.48988369       2.27763771
O        1.90624000       2.15269000       3.73322000      -0.33300059       0.31834543      -0.60920679
O        1.47609000       4.14671000       0.02041000      -0.18146471      -0.57882377       0.43993426
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.16630785 magmom=21.999239 free_energy=-100.17421847 stress="-0.03700712125008684 -0.0016304121506252353 0.00791478960270196 -0.0016304121506252353 -0.0669387265783775 0.0022648006236591816 0.00791478960270196 0.0022648006236591816 -0.07511759707859544" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12436000       5.29854000       0.97409000       0.93076460       0.15548844       0.47700151
Cr      -0.77329000       0.82927000       5.12246000       0.26340899       2.06135558      -0.18171318
Cr       1.79211000       2.74878000       1.82661000       0.44836423       0.28595761      -1.04897630
Cr       0.33395000       3.43873000       4.34527000       0.84048748      -0.46541541       0.98482644
Cr       1.96352000       6.23332000       5.96148000       0.07363124       0.96726109      -0.18266134
Cr       0.64326000      -0.77852000       2.84547000      -0.11977499      -0.20831742       0.35658000
O        0.36016000       1.79581000       0.76393000      -0.46271698      -0.76866671       2.33952190
O        1.98923000       4.44763000       5.34877000      -0.73566304      -0.89149843      -2.83266474
O        2.35079000       7.09852000       1.48024000      -0.58305939       0.41849253       1.33929768
O        2.08825000      -0.82544000       4.20065000       0.31199487      -1.13509779      -0.36933219
O        0.33162000       3.98840000       2.46503000      -0.46584955      -0.10991226       0.11220944
O        1.76174000       2.13679000       3.73886000       0.62762118       0.71885346      -0.89558358
O        1.65372000       4.18574000       0.07626000      -1.12920863      -1.02850068      -0.09850565
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.85885143 magmom=21.9993463 free_energy=-99.86146837 stress="-0.0787794360755161 0.008364530499333073 0.0035245497697877783 0.008364530499333073 -0.051222920247720044 0.004866453091861269 0.0035245497697877783 0.004866453091861269 -0.0780755420632337" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27928000       5.13798000       0.95727000      -0.80190261       3.79217215       0.69558908
Cr      -0.72091000       0.94018000       5.07900000      -0.22639660      -0.89710817       0.41445529
Cr       1.67374000       2.72657000       1.79308000       0.19378730       0.63138424      -0.12157992
Cr       0.35968000       3.47199000       4.32963000       0.15903352      -1.01832199       0.40754179
Cr       2.00665000       6.24992000       5.98125000      -0.49686409      -0.74132719      -0.14467205
Cr       0.58827000      -0.78887000       2.88822000       1.09320240      -0.21706293       1.36526039
O        0.08862000       1.82138000       0.81934000       1.29967366      -0.07022115       0.47670909
O        1.86687000       4.34003000       5.15888000       0.34003421       1.40447449       0.86216886
O        2.41399000       7.26928000       1.60205000      -1.48501598      -0.86421456      -1.07244643
O        2.01358000      -0.86655000       4.27341000       0.76330183       0.37946238      -0.41982060
O        0.33211000       4.00456000       2.53052000      -0.62038426      -0.23124741      -0.98736245
O        1.78402000       2.22505000       3.66913000       0.53666860      -0.46306192      -0.13567256
O        1.70225000       4.13882000       0.17291000      -0.75513799      -1.70492792      -1.34017048
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97200013 magmom=21.9934647 free_energy=-99.9742342 stress="-0.0552652535060634 -0.015187853270415167 0.006107120871052471 -0.015187853270415167 -0.0618046981303199 -0.003175675399294904 0.006107120871052471 -0.003175675399294904 -0.061720433444237666" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.35438000       5.18287000       0.96146000      -0.88562071       3.41243336      -0.87110611
Cr      -0.73764000       0.96987000       5.04155000      -0.68149330      -1.73131107       1.28939141
Cr       1.58258000       2.71276000       1.75894000       1.41163817       0.30073119      -0.03608889
Cr       0.39232000       3.46197000       4.32377000       0.13007975       0.38282344      -0.72619816
Cr       2.00583000       6.24883000       5.98358000      -0.43440368       0.22980805       0.70908167
Cr       0.58606000      -0.81288000       2.99871000       0.79313040      -0.11446769      -1.23749762
O        0.08310000       1.79095000       0.90562000       0.61809901      -0.50384326      -0.57174436
O        1.85172000       4.47172000       5.16083000       0.82454706      -1.01376034      -0.01402791
O        2.32457000       7.25910000       1.63686000      -0.01856505      -1.03968012      -0.58418416
O        2.10834000      -0.80897000       4.26156000      -0.40517133      -0.55677436       0.82705466
O        0.21310000       3.99001000       2.38003000      -0.22483300      -0.85726279       1.86075520
O        1.96265000       2.23234000       3.64192000      -0.92844055       0.33511991      -0.16301769
O        1.66828000       3.91407000       0.11085000      -0.19896676       1.15618370      -0.48241804
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.46226584 magmom=21.9991132 free_energy=-99.47158319 stress="-0.03847622685894582 -0.02566863427295868 0.006844111777467275 -0.02566863427295868 -0.09128996173153996 -0.029532533851588706 0.006844111777467275 -0.029532533851588706 -0.06792986460235334" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.35893000       5.42707000       0.92677000      -0.22971838      -1.71615805       0.82671154
Cr      -0.86473000       0.90038000       5.05622000      -1.00797240       1.44952011       2.20258680
Cr       1.55813000       2.70628000       1.72727000       1.95849046       0.25681779      -0.12263162
Cr       0.44271000       3.48612000       4.26767000       1.06149651      -0.21662137       0.47607730
Cr       2.91225000       0.01736000       0.00824000      -0.38833845      -0.99992282       0.09866609
Cr       0.64134000      -0.85167000       3.08143000       0.58471647      -0.31486674      -1.65378162
O        0.22922000       1.65506000       0.83142000      -1.10821797       1.74235814       1.01450879
O        2.05054000       4.50121000       5.25916000      -0.55266597      -0.88273080      -1.95225349
O        2.26102000       7.03724000       1.61752000       0.57603151       0.08079396       0.52201660
O       -0.77876000      -0.78029000       4.36998000      -0.67139028      -2.50452189      -1.05728662
O        0.05490000       3.89994000       2.33488000       1.11872129       1.43405722      -0.33015493
O        2.05297000       2.20802000       3.67939000      -1.50841008       0.09171521      -0.94874186
O        0.49437000       1.94210000       5.95675000       0.16725730       1.57955923       0.92428303
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.20829848 magmom=21.9985637 free_energy=-99.21607839 stress="-0.06959406702884277 0.026802712392943188 0.02681578532742999 0.026802712392943188 -0.05176122811515688 -0.028131169738012447 0.02681578532742999 -0.028131169738012447 -0.06929663593802954" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.34155000       5.60516000       0.91445000       2.22213358      -6.46907294      -0.65917954
Cr       1.91077000       0.85016000       5.15031000       0.07354677       1.32996900      -0.87547875
Cr       1.65380000       2.71944000       1.69660000       0.30691369       1.86841088       0.07757242
Cr       0.55504000       3.50773000       4.20553000      -0.07001595      -1.72848979      -0.10609971
Cr       2.85046000      -0.01413000       0.07136000      -0.09268471      -0.78999384      -0.60303772
Cr       0.73703000      -0.91038000       3.10225000      -1.00495352      -0.56965244      -0.14705667
O        0.16377000       1.74768000       0.83165000      -0.34825761      -0.71564888       1.09536268
O        2.15456000       4.38513000       5.12701000      -1.75329626       2.38746586      -0.23194663
O        2.32156000       6.85194000       1.72973000      -0.99269614       3.65450507       0.45881665
O       -0.79486000      -1.00432000       4.37847000       0.60604439       0.50232971       0.32682455
O        0.12193000       4.01516000       2.21922000       0.90353579       0.04216197       1.01379412
O        1.89611000       2.18662000       3.64761000       0.41673924      -0.12542192      -1.24879262
O        0.46603000       2.04567000       5.87856000      -0.26700925       0.61343731       0.89922122
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97172188 magmom=21.9989235 free_energy=-99.97233108 stress="-0.05589212711472865 0.023024477970213057 0.020451871956313098 0.023024477970213057 -0.03164549707677272 -0.00999714808096643 0.020451871956313098 -0.00999714808096643 -0.053657282988609695" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.38130000       5.49670000       0.89144000      -0.03237544      -0.59377359      -1.07507324
Cr       1.74451000       0.85764000       5.18576000       0.65585623      -0.24131810      -1.73555068
Cr       1.74660000       2.81790000       1.68642000      -1.30188709       1.25122112      -0.15635468
Cr       0.62739000       3.46920000       4.14954000      -2.70948607       0.29135867       1.15138182
Cr       3.00456000       8.02738000       0.09075000      -0.04689792       1.15808365      -0.11304763
Cr       0.96148000       7.11150000       3.13392000      -1.05576926      -0.04848300       0.05188925
O        0.04997000       1.76413000       0.89423000       1.65529230      -0.69532166       0.03031431
O        1.99375000       4.52568000       5.03941000       0.58815932      -1.01562769       0.03418821
O        2.42353000       7.10010000       1.82463000       0.52766205      -0.42883301      -1.69688102
O       -0.79187000      -1.03826000       4.41437000       0.89861818       1.12276394       0.97603052
O        0.34989000       4.13803000       2.22476000      -0.49759556      -1.31619423       2.09353051
O        1.80893000       2.15215000       3.49866000       1.16356920      -0.29363875       0.40675798
O        0.39444000       2.16461000       5.92484000       0.15485406       0.80976266       0.03281464
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75513839 magmom=22.0037387 free_energy=-99.7560351 stress="-0.039970570371962826 0.02232951602560296 0.012246613010869371 0.02232951602560296 -0.04406140644765549 -0.0054670887942593555 0.012246613010869371 -0.0054670887942593555 -0.07417841410684003" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.39342000       5.35604000       0.83419000      -1.31973667       2.35857895       0.89653269
Cr       1.66455000       0.86100000       5.14023000       0.30059009       0.65901365      -0.50897815
Cr       1.77230000       2.93006000       1.68249000       0.41623121      -2.17427102      -0.05351570
Cr       0.56203000       3.45084000       4.15984000      -1.49616682      -0.97965607       2.12086959
Cr       2.98981000       8.03424000       0.08399000       0.64472197       1.72806817      -0.91401657
Cr       0.94630000       7.05294000       3.16440000       1.25276908       0.59360355      -0.31246538
O        0.13818000       1.72375000       0.85420000       0.18917063       2.04918792       1.13809955
O        1.93120000       4.49714000       5.09322000       0.69630567      -0.97786657      -0.71429451
O        2.65128000       7.21145000       1.74508000      -1.71738002      -2.28497085       0.78287297
O       -0.74920000      -0.83134000       4.51071000       0.60154796      -1.40309656      -1.23215810
O        0.44132000       4.13048000       2.41058000      -1.05158409       0.43663006      -0.89855462
O        1.89596000       2.11097000       3.49944000       0.12786807       1.15500591       0.26146942
O        0.36650000       2.27338000       5.94393000       1.35566292      -1.16022714      -0.56586120
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.03180307 magmom=22.0019811 free_energy=-100.03277018 stress="-0.08140140867545483 0.02066630669187206 0.006767969242108667 0.02066630669187206 -0.06922230001997044 -0.016529014377189444 0.006767969242108667 -0.016529014377189444 -0.07807767995487155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.32951000       5.32127000       0.80916000       0.23102423      -0.27914177       1.39555531
Cr       1.65832000       0.89378000       5.06531000       0.78930176       0.20317411      -0.32343560
Cr       1.81150000       2.92366000       1.69731000      -1.01123311       0.91183228       1.45149833
Cr       0.41076000       3.39776000       4.26959000       1.31481761       0.49961089      -0.43133500
Cr       2.84054000       0.02266000       0.05365000       0.68227870      -0.38924942       0.42131117
Cr       0.98875000       7.04179000       3.16821000       0.78743668      -0.42394894      -1.94602607
O        0.20837000       1.97714000       0.84956000       0.51266900      -2.04266472       0.05282185
O        1.98711000       4.33842000       5.15706000      -0.85545383       2.51114373      -0.96504102
O        2.71039000       6.90833000       1.73164000      -1.86131378       1.41709185      -0.41237395
O       -0.72726000      -0.79493000       4.37615000       0.80464514      -1.12219886       1.25494757
O        0.32573000       4.16977000       2.40926000       0.13203923      -1.02134397       0.31272095
O        1.97040000       2.25564000       3.64084000      -0.99371004      -0.41580213      -1.75748045
O        0.51217000       2.20948000       5.89884000      -0.53250158       0.15149695       0.94683691
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.90687587 magmom=21.9946941 free_energy=-99.91165167 stress="-0.07400406736730233 0.0004956282283057516 0.0090904184912695 0.0004956282283057516 -0.0755024890761407 -0.010867263648689488 0.0090904184912695 -0.010867263648689488 -0.07813280645519204" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23434000       5.28816000       0.83901000       1.05698365      -0.33350592      -0.03437847
Cr       1.74850000       0.93598000       4.97620000       0.51841855      -1.10943392       0.87714532
Cr       1.80906000       2.91026000       1.78495000      -1.27651772      -0.00605805      -1.87706483
Cr       0.30686000       3.38618000       4.37042000       1.32095608       2.07295415      -1.29154155
Cr       2.95876000       0.10808000       0.03942000      -0.01793864      -1.21645839       0.66899127
Cr       1.06865000       7.01351000       3.06499000      -1.03410786      -0.75381379      -0.93870447
O        0.27336000       1.98926000       0.79576000      -0.28074875      -1.50746627       0.50187769
O        1.92151000       4.49039000       5.18758000      -0.60868623       0.25892912      -0.44851596
O        2.53186000       6.74480000       1.73179000      -0.50850662       3.01020718       0.29290583
O       -0.68450000      -0.90504000       4.33829000       0.96403174       0.66674760       0.62473700
O        0.21166000       4.08131000       2.35622000       1.25987039      -0.07611386       1.61570367
O        1.82916000       2.32667000       3.60353000      -0.32004837      -1.09004247       0.12610125
O        0.62180000       2.20240000       6.01190000      -1.07370623       0.08405462      -0.11725675
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65878494 magmom=21.998433 free_energy=-99.66533141 stress="-0.059687022141323216 -0.011277319819445464 0.014759207988063535 -0.011277319819445464 -0.06387233355015637 -0.005775411218633106 0.014759207988063535 -0.005775411218633106 -0.07046882840146859" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15028000       5.25569000       0.88075000       0.96565330       2.11807876       0.94728809
Cr       1.89600000       0.90401000       4.93209000      -0.27819564      -0.58617226       2.41983523
Cr       1.74327000       2.86854000       1.78985000      -0.02769497      -1.04245195      -1.13135470
Cr       0.27486000       3.49518000       4.38528000      -0.17546557       0.53579583      -0.31143494
Cr       0.10062000       0.12613000       0.04482000      -0.72956652      -2.38480621       0.14424806
Cr       1.08034000       6.95087000       2.94425000      -1.76191882       0.50091492       2.55086084
O        0.25215000       1.82299000       0.79510000       0.03607806       2.43255599       1.35874015
O        1.77571000       4.62232000       5.22157000       0.57950896      -1.65230839      -0.66502883
O        2.44574000       6.96701000       1.71414000       2.05015184       0.14639925      -1.91540426
O       -0.61793000      -0.87330000       4.35071000       0.47500101      -0.39209929      -1.20312588
O        0.27890000       4.00171000       2.47159000      -0.45145014       1.01485738      -0.71057577
O        1.62368000       2.19932000       3.62155000       0.69852036       0.84226479      -0.46006912
O        1.74141000       4.18610000       0.14664000      -1.38062187      -1.53302882      -1.02397887
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.66203223 magmom=21.9974739 free_energy=-99.66494742 stress="-0.07315345525481282 0.0053483106910656025 0.009395381348458135 0.0053483106910656025 -0.05177289350819617 -0.015690851516387324 0.009395381348458135 -0.015690851516387324 -0.06527676945365649" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08424000       5.32926000       0.95661000       0.43861233      -0.53971381      -0.78497920
Cr       2.02062000       0.84039000       4.98853000      -0.21128937       1.65649912       1.32056110
Cr       1.67661000       2.76925000       1.74069000       0.15790722       2.28319619       1.63216560
Cr       0.23965000       3.61206000       4.35065000       0.74996861      -2.84858729      -0.70317690
Cr       0.17418000       0.05847000       0.04083000      -0.10523529       0.01916081      -1.08218843
Cr       1.02823000       6.93623000       2.94938000       1.78333024       0.94643693      -0.26852863
O        0.19135000       1.92594000       0.91013000       0.07033215      -2.06409852      -1.28464522
O        1.79190000       4.46365000       5.20831000      -0.27187992       1.53383876      -0.02300667
O        2.70843000       7.13152000       1.52466000      -1.78763105       0.46956843       1.82735576
O       -0.61102000      -0.88824000       4.19391000      -0.41788988      -1.05183896       1.34557597
O        0.28304000       4.09460000       2.47563000      -0.58138188      -0.19970074      -0.04516292
O        1.63338000       2.19676000       3.68808000       0.59490625       0.93949496      -0.97860738
O        1.57356000       4.17994000       0.15919000      -0.41974940      -1.14425588      -0.95536308
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.96630512 magmom=22.000543 free_energy=-99.967787 stress="-0.051694048249589834 -0.012623185282719614 -0.02182326467386685 -0.012623185282719614 -0.047598129556978244 0.004534742415834408 -0.02182326467386685 0.004534742415834408 -0.0840222785380442" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00472000       5.39164000       0.98150000       0.17618819      -0.41688325      -1.84977094
Cr      -0.86043000       0.84593000       5.09329000      -0.07750817       0.94858581      -0.85942589
Cr       1.62524000       2.75312000       1.77120000       0.18234261       1.51577593      -0.87168916
Cr       0.24394000       3.58385000       4.27320000       1.03133888      -1.28285694       0.95807803
Cr      -0.75060000       6.23274000       5.99843000      -0.37877074      -0.13980163       0.16739161
Cr       1.06339000       6.99598000       2.96942000       1.14654479       0.60485907       0.68529402
O        0.14268000       1.77365000       0.80849000       0.18761956       0.46896207       1.20893743
O        1.82968000       4.48258000       5.23817000      -0.72242165       0.03791206      -1.00831603
O        2.80307000       7.21784000       1.63543000      -2.65941113       0.28256388      -0.34971130
O       -0.71450000      -1.02583000       4.22869000       1.30609165       0.48712944       1.12039586
O        0.15272000       4.16533000       2.40296000       0.10343990      -1.65767827       0.99724443
O        1.82498000       2.32869000       3.66575000      -0.48616949      -0.71022876      -0.07217961
O        1.38285000       4.10312000       0.05634000       0.19071559      -0.13833940      -0.12624845
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.5793028 magmom=22.0013409 free_energy=-99.58120074 stress="-0.05612295632244443 -0.05502431689833332 -0.01001997804835276 -0.05502431689833332 -0.08224078491683856 -0.009248126915371852 -0.01001997804835276 -0.009248126915371852 -0.08524772433753391" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.89498000       5.43677000       0.92246000       0.52523046      -0.80418058      -0.08718794
Cr      -0.76615000       0.88163000       5.15904000      -1.43238150      -2.19288398      -2.26491625
Cr       1.58114000       2.80614000       1.77777000       0.20130410      -0.78786410      -1.55802318
Cr       0.31827000       3.47305000       4.23417000       0.17071517       0.58709794       1.65942946
Cr      -0.77458000       6.16819000       5.94173000      -0.80405389       0.10489048       3.11096758
Cr       1.16410000       7.10900000       3.03025000      -2.07437832       0.16167997       0.74139950
O        0.15175000       1.67562000       0.78616000       0.05535078       1.93498049       1.86601414
O        1.77967000       4.50416000       5.18138000      -0.00504643      -1.47822273      -1.45492922
O        2.58823000       7.22188000       1.77925000       0.94501132      -0.12542497      -1.67924926
O       -0.65682000      -1.02878000       4.38098000       1.59687533       1.38965359      -1.81956372
O        0.01377000       4.03511000       2.35743000       1.07036064       0.44250840       0.15187280
O        1.94005000       2.30814000       3.66244000      -1.80872799      -1.46035334      -0.45808263
O        0.12531000       2.23609000       5.98065000       1.55974034       2.22811885       1.79226874
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.39478122 magmom=21.9977536 free_energy=-99.39976217 stress="-0.08707309543085302 -0.022411660539691732 0.01486065021852053 -0.022411660539691732 -0.07886741776752808 -0.04043855981848565 0.01486065021852053 -0.04043855981848565 -0.056320859172781665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.80120000       5.44663000       0.85558000       1.45159080      -1.81519453       0.76476925
Cr      -0.73832000       0.83281000       5.13658000      -0.27842799       2.18525271       1.21853465
Cr       1.55717000       2.82414000       1.71222000       1.81960870       0.50877777       0.89624950
Cr       0.39120000       3.36641000       4.26259000      -2.08460363      -0.84124086      -1.09492792
Cr      -0.86606000       6.12969000       6.00589000       0.06230733       1.57640786       0.21881449
Cr       1.00116000      -0.85174000       3.12726000       0.53056454      -0.28484459      -2.64351947
O        0.18143000       1.85292000       0.93683000      -1.35908708      -2.26933089      -1.47069528
O        1.80389000       4.36761000       5.01003000       0.81267759       2.02818338       0.46970729
O        2.54306000       7.12387000       1.68210000       0.73716795       1.50005974       0.27161416
O       -0.39926000      -0.81876000       4.34390000      -1.53928970      -2.34015015       1.51861238
O        0.05193000       3.98359000       2.28674000       0.39704425       0.79691399       1.53439501
O        1.77691000       2.04247000       3.66037000       0.07866430       0.86179633      -0.91085535
O        1.38542000       4.34780000       0.07338000      -0.62821708      -1.90663077      -0.77269873
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57038676 magmom=21.9989831 free_energy=-99.57713402 stress="-0.04561047439545811 -0.0011496663015094224 0.015728383689319655 -0.0011496663015094224 -0.0645435839641482 -0.0101150110228846 0.015728383689319655 -0.0101150110228846 -0.055733730845113086" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.79618000       5.38602000       0.84286000       1.90499748       0.39804149       0.86432937
Cr      -0.74920000       0.84697000       5.14970000      -0.25832897       1.04929533       0.50070051
Cr       1.61601000       2.82545000       1.68983000       0.07378466       0.10513626       0.69941529
Cr       0.35329000       3.25912000       4.23525000      -0.55141359       2.16633579      -0.00903532
Cr       3.17208000       8.04776000       0.04634000       0.54433442       0.67629833      -1.68173416
Cr       1.02896000      -0.74019000       3.11464000       0.17452148      -1.02349572      -1.43374970
O        0.06793000       1.77397000       0.82717000       0.49941211       0.39663874       0.88436211
O        1.94264000       4.47240000       4.99133000      -1.11715476      -0.96634230       0.26702720
O        2.72490000       7.11237000       1.63312000      -0.45895240       0.72805224       2.47907794
O       -0.43662000      -0.87876000       4.45577000      -0.15157351      -0.92297784      -0.86363333
O        0.16538000       4.06742000       2.39948000      -0.41173237      -0.80734951      -0.19465057
O        1.67465000       1.94740000       3.58552000       0.76754038       0.58008077      -0.32217691
O        1.41683000       4.35106000       0.09880000      -1.01543492      -2.37971358      -1.18993243
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.24615727 magmom=22.0041451 free_energy=-99.2484746 stress="-0.07012004585605798 -0.01932497935498523 -0.020172845871300835 -0.01932497935498523 -0.06470741627613694 -0.0022587354184415774 -0.020172845871300835 -0.0022587354184415774 -0.08371986526867688" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90268000       5.34745000       0.88675000       0.76378845       0.69936726       0.60826079
Cr      -0.80192000       0.88289000       5.17737000      -1.84744762      -2.91962092      -3.04394821
Cr       1.70339000       2.82619000       1.72222000      -0.96336763       0.15866646      -0.77262939
Cr       0.26469000       3.25781000       4.19828000       0.49485675       1.45366480       1.46516582
Cr       2.89640000       0.02501000       0.04132000      -0.06896513      -1.89876123      -0.37236215
Cr       1.08334000      -0.68600000       3.03292000       0.28954929      -0.74038959       1.47166350
O        0.02869000       1.77483000       0.77915000       1.05237038       0.94621247       2.09910517
O        1.90634000       4.43346000       5.12451000      -0.92964751      -1.08323521      -0.24130884
O       -0.10888000       7.16211000       1.86891000      -2.23082562      -0.17219639      -3.29059101
O       -0.63892000      -0.99114000       4.41549000       1.56332222       0.79572227       0.10611304
O        0.22721000       4.02033000       2.43839000      -0.41997160      -0.09075117      -0.89146637
O        1.73228000       2.02667000       3.46266000       0.26421047       0.04303969       1.27690336
O        0.19338000       2.14161000       5.98843000       2.03212756       2.80828157       1.58509430
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.66451279 magmom=22.0010647 free_energy=-99.6658691 stress="-0.0742431951607217 -0.019188580585234816 -0.01457721599279 -0.019188580585234816 -0.08485881252100219 -0.0022506593987119054 -0.01457721599279 -0.0022506593987119054 -0.08805105762906411" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07277000       5.33792000       0.96407000       0.25299586      -0.71088019       0.21517344
Cr       2.03715000       0.80399000       5.08859000      -0.69660500       2.80046914       1.61368059
Cr       1.74551000       2.83863000       1.74136000      -1.06346622      -0.39089724      -1.25506957
Cr       0.19146000       3.34423000       4.23180000       1.31941349      -0.03399584       1.51943341
Cr       2.82759000       0.01198000       0.00985000       0.31512323      -0.21469048      -0.32148604
Cr       1.12851000      -0.68258000       2.99308000      -2.52037861      -0.75282010      -1.34307709
O        0.19596000       1.87460000       0.93669000       0.26877565      -2.13957687      -0.72218382
O        1.69334000       4.23984000       5.27855000       0.21089428       2.18889972      -2.22378204
O        2.78814000       7.17398000       1.70344000      -0.06587831       0.13538277       0.17657420
O       -0.66101000      -0.86583000       4.38853000       2.43509673      -2.35599513       0.04792824
O        0.21822000       3.96024000       2.31487000       0.26582917       0.89999667       2.18123329
O        1.83517000       2.13479000       3.56418000      -0.98614340      -0.39618910      -0.03124139
O        0.40765000       2.04756000       5.98916000       0.26434314       0.97029665       0.14281677
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.37309797 magmom=22.0012026 free_energy=-100.37338185 stress="-0.030250814036844046 -0.027094420007404967 0.00936447183488948 -0.027094420007404967 -0.048482022681877845 -0.0042490988019789734 0.00936447183488948 -0.0042490988019789734 -0.04489830296242955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20695000       5.32358000       1.02160000      -0.47437754       0.26923490      -1.68698526
Cr       1.88394000       0.81987000       5.06941000       0.26586997      -0.23037537       1.25075003
Cr       1.74341000       2.82399000       1.71586000       0.30402406      -0.80682746       0.52295731
Cr       0.18238000       3.43175000       4.33083000       0.54591792      -1.16200632      -0.17143708
Cr       1.84718000       6.21615000       5.99131000       0.72104580       0.71188394      -1.47640194
Cr       1.06794000      -0.72564000       2.91384000      -0.56631955      -0.69121345       0.77475869
O        0.32475000       1.70089000       0.90379000      -0.98893531       0.65369268       0.34141738
O        1.61709000       4.36534000       5.19770000       1.31752376       0.75664569       0.05467202
O        2.70757000       7.14175000       1.59558000       0.03101091      -0.08773092       1.54040062
O       -0.43490000      -0.89364000       4.36557000       0.12109328      -0.18170485      -0.93632374
O        0.22561000       4.03647000       2.43307000       0.20937749      -0.68616206       0.66666523
O        1.78467000       2.16973000       3.69510000      -0.59755043       0.77979797      -1.78444020
O        0.63367000       2.05763000       6.01081000      -0.88868035       0.67476524       0.90396695
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97890027 magmom=22.0000071 free_energy=-99.97965694 stress="-0.0465549016204943 -0.0030646858256789763 0.019941931473227002 -0.0030646858256789763 -0.04294751032856914 -0.020889566309667127 0.019941931473227002 -0.020889566309667127 -0.04784565292915302" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26942000       5.32877000       1.01461000      -0.16250011       0.04321081      -0.52630976
Cr       1.79983000       0.86441000       5.11684000       0.83635575      -1.03783907      -1.03603699
Cr       1.75377000       2.76580000       1.73205000      -0.48169792       0.09399340       0.97356782
Cr       0.21024000       3.47369000       4.40242000       1.19791255      -0.87252924      -1.69377612
Cr       1.87790000       6.21336000       5.91100000       0.64802215       1.91870565       0.60659225
Cr       0.99184000      -0.81781000       2.87298000       2.06272368       0.05078005       1.46224640
O        0.20884000       1.67077000       0.82441000       0.02144439       1.32569899       1.01249555
O        1.79258000       4.54948000       5.14663000      -0.69447218      -2.85013532      -0.32252901
O        2.72072000       7.08505000       1.69968000      -0.81582146       0.29249762      -2.39290535
O       -0.34371000      -0.89744000       4.21237000      -1.94477912       0.70613418       2.07859332
O        0.26488000       4.03706000       2.51729000      -0.17162733      -0.47888216      -0.83206892
O        1.66199000       2.23324000       3.64763000       0.56399118      -0.13769362       0.52587920
O        1.79384000       3.96043000       0.10851000      -1.05955159       0.94605873       0.14425162
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.88490805 magmom=21.9962769 free_energy=-99.88684729 stress="-0.0755705498995133 0.03601099862585138 0.025853888155799507 0.03601099862585138 -0.08217556858011044 -0.02128592807263113 0.025853888155799507 -0.02128592807263113 -0.08130440983151813" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29196000       5.32643000       0.98152000      -0.33307206      -0.36715696      -0.49642607
Cr       1.77017000       0.88896000       5.12804000      -0.65257809       2.18735859       0.56308134
Cr       1.73045000       2.70618000       1.82718000      -1.74141349       1.89950435      -0.40873843
Cr       0.31558000       3.47878000       4.36154000       0.41425117      -1.25546540      -0.90681806
Cr       1.97411000       6.27894000       5.85291000      -0.00217535      -0.49531966       1.05713037
Cr       1.18252000       7.15935000       2.91117000      -0.81962581       0.56420269      -0.68164402
O        0.03269000       1.85499000       0.79725000       1.82975924      -2.32674685       0.71507233
O        1.89577000       4.38828000       5.18272000      -0.76227389       1.54370853      -0.17521424
O        2.69980000       7.06189000       1.50786000      -0.92789685       1.36169338       1.53304110
O       -0.64489000      -0.71210000       4.27162000       1.56720057      -1.40723450      -0.51518354
O        0.26914000       3.96632000       2.37383000      -0.42116069      -0.23781910       1.93876123
O        1.67105000       2.22285000       3.74048000       1.12468525      -0.19348933      -0.94312977
O        1.62753000       4.14816000       0.24228000       0.72429999      -1.27323573      -1.67993224
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.4632514 magmom=21.9943266 free_energy=-99.47113991 stress="-0.06830540156387732 0.0041621956739515045 -0.003375654088186281 0.0041621956739515045 -0.07711775623607951 -0.009360114868304539 -0.003375654088186281 -0.009360114868304539 -0.10732562428987355" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24315000       5.31149000       0.92260000      -0.71381334       0.80431788       0.74581134
Cr       1.73136000       0.98665000       5.16846000      -0.27126494      -0.35392966       1.83999376
Cr       1.62698000       2.70215000       1.89638000       0.49254814      -0.39030681      -2.67454492
Cr       0.45527000       3.43284000       4.26604000      -1.02745875       0.17869990       2.68948457
Cr      -1.09330000      -1.77272000       5.85562000      -0.57153256      -1.54667868       1.76284688
Cr       1.15123000       7.05753000       2.92191000      -2.57496841       0.80225526      -1.69070787
O        0.09552000       1.79241000       0.84514000       0.22115152       0.13760907       0.87538571
O        1.91833000       4.40040000       5.22265000       0.66164095       0.93517063      -1.81965676
O        2.61301000       7.13233000       1.54403000       0.02804396      -0.30738406       0.70086320
O        2.10210000      -0.65880000       4.28714000       3.17768102      -0.86961139       0.14567730
O        0.19220000       3.90718000       2.43970000      -0.11190501       1.33822005      -0.32653726
O        1.90727000       2.18283000       3.76269000      -0.01811755       0.78640914      -1.48027650
O        1.60709000       4.24063000       0.11659000       0.70799497      -1.51477133      -0.76833945
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.35270595 magmom=21.9945924 free_energy=-99.35931704 stress="-0.07428674329960615 -0.00394335306605917 -0.012805700397597514 -0.00394335306605917 -0.057363906679719794 -0.021782602490213545 -0.012805700397597514 -0.021782602490213545 -0.07311640912692065" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11479000       5.34543000       0.88160000       0.57900641       0.18750392      -0.00330631
Cr       1.71983000       1.03865000       5.26630000       2.23176283      -3.84970867      -2.38790639
Cr       1.54710000       2.68067000       1.83086000       2.00858638       1.33106342       0.38387719
Cr       0.54118000       3.41939000       4.28987000      -0.43279282       1.57345158      -0.53270253
Cr      -1.01980000      -1.78908000       5.93356000      -0.41157692      -0.70563917       0.58902789
Cr       1.02136000       7.01755000       2.88469000       1.32848550       1.10648554       3.81136576
O        0.18964000       1.73803000       0.97095000      -1.58542204       0.04900789      -0.58217493
O        2.06589000       4.54399000       5.07140000      -0.23922350      -1.06204883       0.29976897
O        2.59776000       7.06540000       1.72708000      -1.38150681       0.21261260      -3.25324472
O       -0.73427000      -0.75569000       4.29133000       0.63376374       0.30546935       0.12705528
O        0.11938000       4.05275000       2.42817000       0.58551731      -0.17060548      -0.72927579
O        2.09834000       2.20456000       3.64569000      -1.26482016      -0.45869791       0.73162909
O        0.58067000       2.30459000       5.92394000      -2.05177991       1.48110576       1.54588649
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.68542545 magmom=21.998351 free_energy=-99.69218256 stress="-0.051047893071340465 0.021496158065771223 0.02282933867287149 0.021496158065771223 -0.06059864707145776 -0.02393171987546206 0.02282933867287149 -0.02393171987546206 -0.06791997657890178" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00106000       5.38064000       0.83489000       1.97559420      -1.96479050      -1.78100525
Cr       1.82542000       0.91910000       5.25700000      -0.00257482       0.43681850      -1.42369904
Cr       1.56942000       2.70814000       1.77031000      -0.01348450       1.32681951       0.61328281
Cr       0.58228000       3.49894000       4.29225000      -0.32775372      -0.75842850      -1.74178368
Cr      -0.97693000      -1.83800000       6.02080000      -0.32602408      -0.57517705      -0.11303566
Cr       0.95589000       7.04345000       3.00600000       1.87042940       0.25521479      -0.58607841
O        0.03504000       1.73990000       0.94510000       0.45270238      -0.53741632      -0.28345336
O        2.15731000       4.52836000       5.05060000      -1.15581370       0.53254923       0.53433868
O        2.50042000       6.94967000       1.54385000      -1.12280672       2.77365695       1.54174169
O       -0.57006000      -0.80154000       4.32345000      -1.38217714       0.16323595       0.82675651
O        0.16821000       4.16934000       2.23088000       0.19288773      -1.53195251       2.13058604
O        2.02592000       2.16638000       3.69515000      -0.15566190       0.59367933       0.18120937
O        0.49438000       2.40265000       5.96282000      -0.00531712      -0.71420939       0.10114030
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.50630195 magmom=21.9990107 free_energy=-99.51540325 stress="-0.05827188536391356 0.015342260872416295 0.029593631229199373 0.015342260872416295 -0.08215652324540523 -0.03124812238553419 0.029593631229199373 -0.03124812238553419 -0.07162478724268251" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.96518000       5.34751000       0.74343000       1.51696498       0.08228380       1.84699473
Cr       1.96537000       0.80765000       5.15990000      -0.61033438       3.47633793       0.18161135
Cr       1.62141000       2.79416000       1.75538000       0.06505118      -0.58684855      -0.43247986
Cr       0.57404000       3.56669000       4.20499000      -2.13689209      -0.63402610       1.14973211
Cr       0.37383000       8.04900000       0.07245000      -0.34774858       0.54270455       0.60267150
Cr       0.98825000       7.09920000       3.13429000      -0.31522406       0.02801452      -2.04098668
O       -0.04191000       1.73161000       0.82992000       1.32821630       0.34760875       1.10893750
O        2.05144000       4.52907000       5.14050000      -0.05729098      -0.11876574      -1.33540931
O        2.35019000       7.12612000       1.56112000       0.26090683      -0.64514342       1.31653162
O       -0.69061000      -0.85182000       4.41584000       0.57909418      -1.79838605      -1.00242742
O        0.23179000       4.00245000       2.29794000      -0.93668906       1.20086836       0.38184334
O        1.86144000       2.24674000       3.74455000       1.07893146      -0.56347987      -1.17653766
O        1.54116000       4.26032000       0.02786000      -0.42498578      -1.33116816      -0.60048121
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05711014 magmom=21.9990761 free_energy=-100.05731692 stress="-0.05793095932435666 -0.018270072830911702 0.011798195975772911 -0.018270072830911702 -0.04325209287812372 0.00014549910850877398 0.011798195975772911 0.00014549910850877398 -0.0641434870387044" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02772000       5.31622000       0.74682000       0.13914755       0.61509398       2.27640186
Cr      -0.89846000       0.83990000       5.04844000       0.21358066       0.39395440       0.48384859
Cr       1.67344000       2.84022000       1.72592000      -0.17165902      -0.86401243      -0.84837042
Cr       0.45032000       3.58573000       4.16722000      -1.16250185      -1.33623244       1.93363323
Cr       0.33833000       8.01144000       0.16566000      -0.49435884       1.05421472       0.19960576
Cr       0.80634000      -0.93659000       3.16394000      -2.71819024      -0.58359132      -1.41477009
O        0.17601000       1.80452000       0.83524000       0.08563928       0.17799463       0.68451287
O        1.91361000       4.50954000       5.11560000       0.13710214      -0.31573118      -0.73756339
O        2.32883000       7.19379000       1.76609000       1.40505261      -0.78817414      -1.13335955
O       -0.80098000      -1.09428000       4.40941000       1.67325443       0.65707172       0.65517353
O        0.15338000       3.98260000       2.36533000       0.44663294       1.50227470      -1.01180028
O        1.85748000       2.28218000       3.64005000       0.21596748      -0.21390375      -0.33809985
O        1.41142000       4.06419000       0.05647000       0.23033284      -0.29895892      -0.74921227
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.69547104 magmom=21.9998367 free_energy=-99.69595489 stress="-0.061046360388883295 -0.04573208293565933 -0.008255319537365203 -0.04573208293565933 -0.05416724622823806 0.00954179676668017 -0.008255319537365203 0.00954179676668017 -0.06400453902441566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07942000       5.30627000       0.84667000       0.00572179       2.05529606      -1.33454850
Cr      -0.78281000       0.88345000       4.94489000      -0.61644957      -1.65620645       0.54466654
Cr       1.73320000       2.83162000       1.67083000       0.80260039       0.91982888       0.17118204
Cr       0.26834000       3.54224000       4.21383000       1.00165019      -0.51175326      -0.48020670
Cr       0.06693000      -0.05037000       0.24614000      -0.04278315       0.48347976      -1.61840515
Cr       0.71391000      -0.90500000       3.13733000       2.38096388      -1.08431256       0.74027436
O        0.36534000       1.84126000       0.86595000      -1.83440124      -1.13620772      -0.15609891
O        1.80973000       4.43310000       5.11441000      -0.37995255       0.52522567       0.49731244
O        2.55477000       7.08916000       1.82227000      -1.61436265      -0.22296703      -1.30313924
O       -0.69433000      -1.15932000       4.44253000      -0.73506733       1.04039520       0.10471971
O        0.12465000       4.18447000       2.25594000       0.79476412      -2.65914410       3.33280077
O        1.91273000       2.25372000       3.54285000      -0.85313798       0.24782334      -0.00029514
O        1.37489000       3.93290000       0.00873000       1.09045410       1.99854221      -0.49826223
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.59967291 magmom=21.9926711 free_energy=-99.60010786 stress="-0.0459062420554327 -0.018911650324088914 0.0016496738722103317 -0.018911650324088914 -0.10834663941939354 -0.01735392511601927 0.0016496738722103317 -0.01735392511601927 -0.056912444699430235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11764000       5.35920000       0.90458000       0.82553951      -2.28375039      -0.22437179
Cr      -0.71055000       0.84004000       4.87072000      -0.07216167       2.56958732       2.47247726
Cr       1.82180000       2.84195000       1.63361000      -1.24966256       0.50265641       0.68096527
Cr       0.14501000       3.47935000       4.24757000       1.66555057      -0.07926150       1.53774944
Cr      -0.02186000       0.01555000       0.22220000      -0.22162105      -1.81052188      -2.12135908
Cr       0.72594000      -0.93582000       3.15390000       2.05406128      -1.10717859      -0.91940989
O        0.23922000       1.75339000       0.83137000       0.89230021       2.26174715       0.80609501
O        1.69030000       4.42403000       5.25234000       0.16946247       0.99740228      -1.61467746
O        2.63984000       6.95429000       1.71606000      -2.14226144       2.29225476       1.79165220
O       -0.70670000      -0.94092000       4.44983000      -0.84712866      -2.36445960      -0.60154749
O        0.23554000       4.06585000       2.45828000       0.34528966       0.24507637      -1.77535786
O        1.84048000       2.22770000       3.52777000      -0.82823496      -0.42890582      -0.35774668
O        0.36530000       2.25602000       5.92727000      -0.59113337      -0.79464650       0.32553109
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.85223119 magmom=22.0013113 free_energy=-99.85303477 stress="-0.06777541613095045 -0.0005895930184827723 -0.008682882791694773 -0.0005895930184827723 -0.061748205881697014 -0.008665201663639205 -0.008682882791694773 -0.008665201663639205 -0.05619274423380727" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16234000       5.34085000       0.93096000       0.03533953       0.84985491       0.70445238
Cr      -0.67313000       0.87144000       4.89785000       0.14564626       0.70563774       2.03056642
Cr       1.84761000       2.85623000       1.65257000      -1.60404717       0.48588677       1.04693694
Cr       0.10705000       3.42380000       4.32897000       1.64798500       1.05028748      -1.25010897
Cr       2.85748000       0.02663000       0.09290000      -0.07004305       0.20094643       0.57084177
Cr       1.03340000       7.07716000       3.13789000      -2.82661210      -0.39318906      -2.26897087
O        0.22608000       1.92765000       0.79756000       1.51854365      -1.36393573      -0.81992100
O        1.66681000       4.52394000       5.22868000       0.12865160      -0.75468651      -1.07749818
O        2.49089000       7.05377000       1.82141000       0.36119715       0.25580069      -1.09504815
O        2.16155000      -0.94483000       4.36485000       2.39941974      -0.86067272       1.90966945
O        0.38747000       3.96011000       2.38390000      -1.07395810       0.95375577       0.44470223
O        1.69110000       2.14960000       3.55410000       0.30169048       0.64327636      -0.19651949
O        0.42744000       2.40929000       5.98462000      -0.96381300      -1.77296212       0.00089749
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.51112669 magmom=21.9974788 free_energy=-99.51313581 stress="-0.055124385279009064 -0.011607330177314745 0.021896422276142604 -0.011607330177314745 -0.05057171739876134 0.021694062345414048 0.021896422276142604 0.021694062345414048 -0.078181750859312" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17903000       5.34536000       0.96568000      -1.17867593       3.17218058      -0.94838235
Cr      -0.66790000       0.93239000       5.01352000       0.03596121      -0.96348491      -0.75434173
Cr       1.80262000       2.86096000       1.72921000       0.28092385      -0.20887785      -0.84492858
Cr       0.16048000       3.42447000       4.35580000       1.65775527       0.88487609      -1.24258742
Cr       1.58323000      -1.81895000       5.98460000      -0.03038282      -0.17134033       1.91251696
Cr       1.04340000       6.96519000       3.03980000      -0.57556248       0.58839341       1.13975680
O        0.42536000       1.93685000       0.64374000      -1.07269180      -1.51804267       2.75431615
O        1.72740000       4.50589000       5.10318000      -0.56363859      -0.76178309       0.31593307
O        2.47378000       7.19267000       1.79023000       0.77800544      -0.51760543      -1.62824674
O       -0.65272000      -1.10352000       4.42096000       0.46306476       1.29687375      -1.63966465
O        0.33275000       4.06145000       2.28018000      -0.60396605      -1.43960277       3.47886318
O        1.67640000       2.17657000       3.64104000       0.25726936       0.67925810      -0.63488461
O        1.50830000       4.25475000       0.15143000       0.55193777      -1.04084489      -1.90835009
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62093865 magmom=21.9990762 free_energy=-99.6217555 stress="-0.048610966262328324 -0.0316136415626319 0.011649804090063528 -0.0316136415626319 -0.04852218039555605 -0.008187743167447923 0.011649804090063528 -0.008187743167447923 -0.06788921505775601" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12171000       5.45399000       0.95760000       0.25336277      -1.76021486      -0.95116983
Cr      -0.68489000       0.90222000       5.10171000      -0.02387357      -0.43120566      -0.34080759
Cr       1.77200000       2.83600000       1.77303000       0.04376676       0.25227003      -0.00311309
Cr       0.29873000       3.47456000       4.30269000      -0.21556006      -0.93390549       2.08873671
Cr       1.48245000      -1.80070000       5.91845000       0.88752524      -0.06605437      -0.43998330
Cr       1.02460000       6.90169000       2.97619000       2.77650498       1.39020038      -1.01103212
O        0.42925000       1.72091000       0.80008000      -0.96682692       0.89320529       0.81196526
O        1.73959000       4.39965000       5.12804000       0.66877377       1.51145071       0.30977960
O        2.62629000       7.18692000       1.54975000      -1.59928112       0.22114224       2.30914537
O       -0.46175000      -1.04549000       4.30373000      -2.26040789       0.48356563       1.10872123
O        0.13376000       4.07689000       2.58170000       0.80534333       0.87612542      -2.92513953
O        1.81378000       2.30546000       3.70954000      -0.17726184      -1.51226666      -0.71249646
O        1.49064000       4.19074000       0.14943000      -0.19206544      -0.92431265      -0.24460622
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.01150535 magmom=22.0086166 free_energy=-100.01480341 stress="-0.03457718195409583 -0.025063429742189884 0.00281890264866359 -0.025063429742189884 -0.04142871622159674 -0.023734652950442057 0.00281890264866359 -0.023734652950442057 -0.04781915887759284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03304000       5.45702000       0.89132000       0.72883750      -2.15011012       0.52151098
Cr      -0.71375000       0.82471000       5.15513000      -0.01217945       0.84692552       0.31523593
Cr       1.75440000       2.80677000       1.81086000      -0.40100285       0.49891808      -0.17739756
Cr       0.42678000       3.48127000       4.31738000      -0.67388001      -0.29862330       0.43985733
Cr       1.46220000      -1.78681000       5.86734000       0.58636232       0.59815870       1.51495436
Cr       1.12969000       6.94141000       2.90101000      -0.72642348       1.22905209       0.98933625
O        0.21675000       1.66568000       1.02523000       0.08532622       1.08291289      -0.56571268
O        1.84917000       4.52333000       5.24469000       0.35143732      -0.72596267      -2.41900444
O        2.58984000       7.14604000       1.65146000      -0.43012645       0.77693897      -0.58581050
O       -0.63963000      -0.89334000       4.26034000       0.15726555      -1.01670847       0.35486988
O        0.08072000       4.19658000       2.45912000       0.90061788      -0.92761984       0.37553376
O        1.95269000       2.22195000       3.73385000      -0.52514721       0.27754555      -0.46030537
O        1.46934000       4.11588000       0.12909000      -0.04108735      -0.19142742      -0.30306794
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.30675376 magmom=21.9973344 free_energy=-99.312073 stress="-0.0705663889749851 -0.009841893924358032 0.006303881787363054 -0.009841893924358032 -0.05257819517921654 -0.023811087139039098 0.006303881787363054 -0.023811087139039098 -0.08240940151409305" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.94087000       5.34257000       0.82961000       1.18220988       1.12325530      -0.15722428
Cr      -0.75869000       0.78423000       5.20411000       0.14926306       2.37258849       0.16171899
Cr       1.71682000       2.80359000       1.84873000      -1.49025187       1.76068782       0.27762022
Cr       0.51509000       3.46017000       4.35741000      -0.85522049      -0.23911079      -1.03581577
Cr       1.51200000      -1.75544000       5.89792000      -0.01272482      -1.14931413       2.00041630
Cr       1.18981000       7.05958000       2.87710000      -3.52990475       0.30627921       0.06208967
O        0.03572000       1.79455000       1.04703000       1.94915518      -1.27145156      -1.22390433
O        1.99278000       4.55959000       5.11217000      -0.27360905      -0.63955366      -0.15590391
O        2.59083000       7.14181000       1.65842000       0.91425602      -0.06728231      -1.75949999
O        2.12160000      -0.85825000       4.31767000       2.21535839      -0.88254552       0.15221758
O        0.17310000       4.17877000       2.28909000       0.22748170      -1.78050252       2.62511475
O        2.00127000       2.16723000       3.74805000      -0.36990671       0.69758681      -0.52954412
O        1.48116000       4.08881000       0.09792000      -0.10610654      -0.23063715      -0.41728510
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.14662158 magmom=22.0002501 free_energy=-99.15073409 stress="-0.07194489366125197 -0.01271567375626007 -0.004360394571549599 -0.01271567375626007 -0.10154001465754008 -0.01347927981823663 -0.004360394571549599 -0.01347927981823663 -0.09834927812847537" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.91755000       5.25389000       0.77809000       1.77061793       0.99358891       1.01042855
Cr      -0.83152000       0.84764000       5.23664000      -0.05157907       0.94814733      -2.34151499
Cr       1.62966000       2.85120000       1.88583000       2.09993309      -2.00688846      -1.95078017
Cr       0.55377000       3.42895000       4.32777000      -1.72979526      -0.23048128      -0.00886946
Cr       2.76013000       0.08646000       0.00136000       0.50041974      -0.89320151      -2.18436664
Cr       0.89427000      -0.88637000       2.87642000       0.15838484      -0.23009792       0.66248632
O        0.13218000       1.80225000       0.84939000       0.02006622       0.08244623       2.80535136
O        2.02322000       4.45898000       5.01556000      -0.35695589       0.66144797       1.03418966
O        2.76159000       7.04700000       1.44522000      -1.77729355      -0.08179486       3.19667711
O       -0.80724000      -0.89735000       4.36069000       0.95182822       0.16723014      -1.51288731
O        0.25556000       3.93796000       2.46798000      -1.25322191       2.21431901      -0.35692373
O        1.97871000       2.22660000       3.74791000      -0.08449599      -0.92866648      -0.65849098
O        1.53771000       4.08570000       0.01503000      -0.24790835      -0.69604909       0.30470028
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.79196187 magmom=22.0018842 free_energy=-99.79953694 stress="-0.07277394547286606 -0.021666427720476198 -0.013677007856386267 -0.021666427720476198 -0.05961020317617158 -0.014832648773849842 -0.013677007856386267 -0.014832648773849842 -0.08907495382671358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00026000       5.23034000       0.77640000       1.07698518      -0.03244035       2.14478639
Cr       2.05008000       0.93913000       5.16675000      -0.61562831      -1.90474022       0.15466810
Cr       1.63391000       2.79551000       1.83381000       1.28709293       0.11345449      -0.43748608
Cr       0.49804000       3.40192000       4.28214000      -1.24849577       0.10810846       0.96574026
Cr       2.92709000       0.00197000       0.06105000       0.37993700      -0.06436006      -1.24516679
Cr       0.79607000      -0.74021000       2.91376000       2.62204515      -0.70698432       0.68252687
O        0.22754000       1.81652000       0.91798000      -0.90696491      -0.79839670       0.15964863
O        1.94211000       4.40995000       5.16206000       0.27576656       0.60132056      -0.83794283
O        2.68731000       6.91388000       1.64051000      -2.04897432       1.56343396      -0.83220949
O       -0.62256000      -0.77225000       4.20104000      -0.94643825      -0.15351630       1.84720013
O        0.16263000       4.01240000       2.51088000       0.20141572       0.42875564      -1.65730527
O        1.93281000       2.13994000       3.70978000      -0.13419136       0.78558638      -1.17229390
O        0.46464000       2.12767000       6.01636000       0.05745040       0.05977846       0.22783397
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75316072 magmom=22.0053868 free_energy=-99.76265868 stress="-0.05823475979409323 0.005098217739515776 0.01576913075749707 0.005098217739515776 -0.06358277144821511 -0.014054060917925987 0.01576913075749707 -0.014054060917925987 -0.08678344702756507" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11305000       5.24243000       0.86346000       0.31885049       1.27908876       0.03500404
Cr       1.94268000       0.93978000       5.10567000      -0.82956288       1.35205365       2.19460966
Cr       1.70388000       2.72853000       1.75441000      -0.74699273       1.57989297      -0.22542237
Cr       0.38305000       3.41218000       4.27741000      -0.05781781       0.53918221      -0.51354108
Cr       0.29883000       8.02242000       0.05841000      -0.44460649       0.78334906      -0.09382205
Cr       0.80771000      -0.66637000       2.97604000      -0.08110770      -0.92716447      -0.25374228
O        0.16231000       1.74445000       0.97166000       0.49837322      -0.95947416      -0.86103783
O        1.89526000       4.40146000       5.22958000       0.17234655       0.31406690      -1.31849472
O        2.44838000       6.95130000       1.74718000       0.76592741       0.61853283      -1.66424816
O       -0.64309000      -0.58745000       4.26749000       0.43724063      -3.11848067       0.14576764
O        0.10553000       4.11294000       2.29905000       0.76427880      -2.38031425       2.17209938
O        1.87031000       2.14357000       3.58339000      -0.27707487       0.42510222       0.41898959
O        1.64855000       3.90459000       0.03328000      -0.51985463       0.49416494      -0.03616182
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.55539339 magmom=22.002277 free_energy=-100.55654419 stress="-0.05173409079494166 0.0006773892690171004 0.021002209633541047 0.0006773892690171004 -0.055075783121800496 -0.026496978753068074 0.021002209633541047 -0.026496978753068074 -0.04899583004201081" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20282000       5.30635000       0.95790000       0.24352552       0.05970185      -0.17589419
Cr       1.85809000       0.95914000       5.14570000      -0.18724919      -0.98959358      -0.12226887
Cr       1.73092000       2.72147000       1.68315000      -0.93921162      -0.43160650       0.48510497
Cr       0.28380000       3.45983000       4.24718000       1.26580658      -1.22137103      -0.06341503
Cr       0.38713000       7.99824000       0.03912000      -0.61379538      -0.01930180      -1.03724454
Cr       0.82209000      -0.67512000       3.01144000      -0.65988704      -0.98014524      -0.14363101
O        0.16149000       1.62351000       0.84832000       0.45755707       1.91927101       1.09008105
O        1.90383000       4.39157000       5.12401000      -0.91640486       0.56314434       0.41352866
O        2.46514000       7.05895000       1.62590000       0.25293029       0.26161289       0.19314672
O       -0.71439000      -0.77759000       4.36455000       0.83383010      -0.49114082      -0.65911383
O        0.21233000       3.87992000       2.36483000       0.27111084       1.00898270      -0.36071641
O        1.78365000       2.24579000       3.61621000      -0.01002343      -0.62318529       0.04140647
O        1.55933000       3.95321000       0.02825000       0.00181111       0.94363148       0.33901600
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97684543 magmom=21.9995229 free_energy=-99.97757129 stress="-0.05860802427831808 -0.0030424152473065473 0.009961461590939226 -0.0030424152473065473 -0.052376412257282144 -0.0008255703227897208 0.009961461590939226 -0.0008255703227897208 -0.07730317324076136" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27701000       5.37554000       1.03460000      -0.21793554      -0.24965038      -0.97607338
Cr       1.79458000       0.94166000       5.18901000       0.46657944      -0.74596551      -1.01769450
Cr       1.71148000       2.68753000       1.65655000       0.90278039       0.32818681       1.04653992
Cr       0.24554000       3.47195000       4.21936000       0.51295725      -0.91146594       1.49016052
Cr      -0.73813000       6.13945000       5.98592000      -0.24283625       1.13698811      -0.11576204
Cr       0.79775000      -0.75961000       3.04477000       0.86638359      -0.34537682      -0.71376794
O        0.25235000       1.77469000       0.76926000      -0.38162655      -1.23909923       1.02751664
O        1.81459000       4.45307000       5.14236000      -0.25204187      -0.63163863      -0.51798192
O        2.66743000       7.19423000       1.58845000      -1.39376855      -0.12374278       1.15885646
O       -0.69738000      -0.99630000       4.29065000       0.25174973       1.15294277       0.24442604
O        0.34081000       3.82452000       2.32449000      -1.50043897       1.40538634       0.53264684
O        1.71290000       2.20040000       3.75647000       0.34936662       0.42650995      -2.29812748
O        1.44158000       4.09603000       0.02388000       0.63883071      -0.20307469       0.13926084
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.33724276 magmom=21.9991059 free_energy=-99.3411465 stress="-0.061173112694068346 -0.01588972572654831 -0.022968467578577713 -0.01588972572654831 -0.032980891391122216 0.022583832643827333 -0.022968467578577713 0.022583832643827333 -0.09316323786167184" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.32830000       5.45024000       1.07062000      -0.83910656       1.00130383      -2.15476194
Cr       1.75684000       0.87829000       5.16609000       0.32594957       1.05994754      -1.16613868
Cr       1.73494000       2.65139000       1.72052000      -0.26771281       2.06289218       0.07841921
Cr       0.23517000       3.42821000       4.27042000      -0.13052589       0.01842104       0.20168722
Cr      -0.76670000       6.20506000       5.86800000      -0.48142301      -0.33012062       2.19094047
Cr       0.82360000      -0.91645000       3.06522000       2.64337772       0.52677729      -0.45139002
O        0.25806000       1.77844000       0.76889000      -0.17424154      -0.85084674       0.92572582
O        1.70499000       4.46417000       5.18137000       0.63181097      -0.43705833      -0.83110622
O        2.80951000       7.32554000       1.72152000      -2.79150617      -0.44874093      -2.28675777
O       -0.67393000      -0.96164000       4.23093000       0.30689276       0.96381553       1.71835251
O        0.20971000       4.06006000       2.28541000       0.03147212      -2.45462738       2.40722115
O        1.71608000       2.15586000       3.62993000       0.07295115       0.37154081      -0.21168535
O        0.28305000       2.38280000       6.00002000       0.67206169      -1.48330422      -0.42050639
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.02537764 magmom=21.9992562 free_energy=-99.02537782 stress="-0.03037532404242657 -0.006601705943454995 0.006705682432586898 -0.006601705943454995 -0.05867707881235861 0.0030891952458578778 0.006705682432586898 0.0030891952458578778 -0.07649797090335873" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.31536000       5.56793000       1.00865000      -0.33848709      -2.64446307      -1.05404615
Cr       1.73850000       0.84966000       5.07023000      -0.97085975       3.21313874       1.86864867
Cr       1.77117000       2.71113000       1.80298000      -1.18248726       1.37110703      -2.36852715
Cr       0.21730000       3.37095000       4.34967000       0.77932423       0.46222049      -1.82959267
Cr      -0.87249000       6.28351000       5.82164000      -0.79198313      -1.99906752       2.54684339
Cr       1.18893000       6.99409000       3.05053000      -0.76079151       1.56689840      -1.01221147
O        0.16093000       1.64347000       0.86568000       0.43972179       2.41088551       0.64884282
O        1.77876000       4.40765000       5.14036000      -0.02625346       0.96935597      -0.17796995
O        2.66730000       7.29282000       1.65227000      -0.28826336      -0.67150255       0.54789581
O       -0.62061000      -0.70494000       4.36623000       2.40898320      -2.26650156      -2.21332465
O        0.00112000       4.13093000       2.53357000       1.05667777      -0.11260185      -1.11143426
O        1.75417000       2.15493000       3.53022000      -0.32975323      -0.55129580       2.24137533
O        0.39202000       2.34427000       5.91553000       0.00417180      -1.74817379       1.91350028
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.26604213 magmom=21.9999934 free_energy=-99.26631442 stress="-0.06060417591883014 0.012462405411976412 0.0396811916580427 0.012462405411976412 -0.057571823269985396 -0.009843437093798842 0.0396811916580427 -0.009843437093798842 -0.06657121157263113" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24010000       5.54841000       0.89295000       0.79345412      -4.56782979      -0.04335875
Cr       1.71426000       0.92228000       5.06730000       0.57314385      -2.87449833       2.41549465
Cr       1.74557000       2.82813000       1.78327000      -2.01463691       0.75929833       0.41191066
Cr       0.24029000       3.35321000       4.33786000       1.24445027       0.23740856      -0.10878348
Cr       1.78175000      -1.80457000       5.90335000       0.32960710       1.13465290       0.91619351
Cr       1.33914000       6.89982000       2.99094000      -2.34743835       1.11599001       1.55533402
O        0.12650000       1.84798000       0.94720000       0.74263314      -1.14501963      -0.58523788
O        1.90843000       4.47710000       5.14376000      -1.11837836       0.17318428      -0.65113193
O        2.57475000       7.07829000       1.64492000       1.32923566       2.06373344      -1.07784930
O       -0.38988000      -0.70729000       4.26763000       0.06520846      -1.15168078       1.02519235
O       -0.00389000       4.14693000       2.57288000       1.26749722       0.01617797      -0.86955742
O        1.74718000       2.14651000       3.75379000      -0.12014130       2.39242195      -3.32978954
O        1.62222000       3.91212000       0.06759000      -0.74463488       1.84616109       0.34158310
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.39489484 magmom=21.9977704 free_energy=-100.39572513 stress="-0.0459057574209736 0.003986923143848187 0.02307158413130678 0.003986923143848187 -0.04466644658331542 0.0020164004317993855 0.02307158413130678 0.0020164004317993855 -0.062411279475586764" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17077000       5.36467000       0.81130000       0.14790771      -0.21062051       0.65257802
Cr       1.73483000       0.90101000       5.15632000       0.58573346      -0.86496102      -1.53182394
Cr       1.65192000       2.92481000       1.79058000       0.24494623      -0.98429762      -0.18885798
Cr       0.30362000       3.39685000       4.30655000      -0.33435144       1.85172485       0.07281591
Cr       1.70805000      -1.76557000       6.00774000       0.79619613       0.02932700      -0.31811575
Cr       1.36872000       6.90277000       2.98283000      -0.57699894       1.00385139      -0.10933238
O        0.15255000       1.88634000       0.88211000      -0.37240937      -0.61438040       0.99884323
O        1.86418000       4.51854000       5.15533000      -0.41932238      -0.80332977      -1.15662415
O        2.76869000       7.08611000       1.59658000       0.16376968       0.05480074       0.99411789
O       -0.31952000      -0.86460000       4.29991000      -0.58455558       0.21411702       1.19000507
O        0.19058000       4.13467000       2.41616000      -0.07189859      -0.15911163       0.73906005
O        1.73257000       2.30841000       3.64446000       0.57793077      -1.31425574       0.35282590
O        1.59668000       3.90609000       0.14440000      -0.15694768       1.79713571      -1.69549187
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.27551427 magmom=22.0014926 free_energy=-100.28073892 stress="-0.06128823834726125 0.0005909266604622272 -0.0023667129458590087 0.0005909266604622272 -0.04785247979197076 -0.003126873832111282 -0.0023667129458590087 -0.003126873832111282 -0.06863714681162324" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10364000       5.24295000       0.78398000      -0.20904094       2.49748036       0.18435157
Cr       1.79597000       0.85841000       5.16994000      -0.10008859       0.26630332      -1.72268861
Cr       1.60510000       2.92830000       1.79446000       1.53410471      -1.96190203      -1.08145899
Cr       0.33628000       3.51640000       4.27590000      -0.67992742      -1.09255121      -0.29717328
Cr       2.85537000       0.10136000       0.05533000       0.33464755      -1.89242362      -0.45357701
Cr       1.36682000       6.96363000       2.98254000       0.82532418       0.49270206       1.31049001
O        0.08481000       1.83019000       0.88568000       0.06714526       1.02602099       1.48661313
O        1.78204000       4.45778000       5.11778000       0.60519026       1.07198983      -0.00875815
O       -0.00581000       7.04440000       1.68681000      -1.76114634      -0.14491116      -0.38932121
O       -0.43946000      -0.93721000       4.44302000       0.57067414       0.50385648      -0.38940886
O        0.27793000       4.13764000       2.33436000      -1.41501041      -0.07405853       1.81283619
O        1.79219000       2.24354000       3.63906000      -0.00830720       0.34066697      -0.23312300
O        0.42861000       2.25460000       5.96015000       0.23643479      -1.03317345      -0.21878178
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.01556756 magmom=21.9919636 free_energy=-100.0177915 stress="-0.0602011062374878 -0.0026828863211433526 -0.0008528209201540736 -0.0026828863211433526 -0.05711888598418375 -0.019185145308544 -0.0008528209201540736 -0.019185145308544 -0.08093150007098145" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02976000       5.26995000       0.78070000       0.18128554      -0.43402684       0.10380081
Cr       1.88152000       0.85786000       5.10560000      -0.81145816       1.43498319       0.31206973
Cr       1.63002000       2.81417000       1.76570000      -1.38886820       1.42422192       1.25757196
Cr       0.32671000       3.58509000       4.22402000       0.01721898      -1.55201226       0.93071673
Cr       2.90420000       0.01070000       0.10708000       0.22195376       0.27586257       0.21806774
Cr       1.40330000       7.05234000       3.03574000      -1.65116042      -0.37478250      -0.26098325
O        0.01642000       1.88148000       0.97424000       1.55246750      -1.57859023      -1.05779746
O        1.82354000       4.54362000       5.15942000       0.03295359      -0.02665085      -0.98078722
O       -0.08221000       6.89944000       1.74114000      -0.36606157       1.79084741       0.29293644
O       -0.58749000      -0.87874000       4.48827000       2.19646060      -0.55584342       0.16051850
O        0.10430000       4.14777000       2.40763000       0.29105169      -0.53912756      -0.91315479
O        1.85728000       2.21028000       3.66844000      -0.40095526       0.95021816      -1.30816676
O        0.42343000       2.29514000       5.76841000       0.12511197      -0.81509959       1.24520757
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.5967116 magmom=22.0031968 free_energy=-99.60242521 stress="-0.05530977661860537 -0.021576565155930656 0.0019104662558810945 -0.021576565155930656 -0.07904314460459765 -0.03757529679214753 0.0019104662558810945 -0.03757529679214753 -0.08588942154909768" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93678000       5.31789000       0.79212000       0.38561354      -1.26607081      -0.19540725
Cr       1.98790000       0.95953000       5.04207000      -1.13843441       0.10716005       1.03898697
Cr       1.60465000       2.69342000       1.77907000      -0.14409045       1.30587801      -2.58975558
Cr       0.30266000       3.58823000       4.19227000       0.88077821      -0.41994159       0.34380260
Cr       0.20796000       8.00910000       0.18718000       0.40442357       2.29114962      -0.93851474
Cr       1.36757000       7.13874000       3.10250000      -3.15891005      -0.55676404       0.39436210
O        0.16328000       1.75191000       0.85536000      -0.77300392       0.30751080       0.83838767
O        1.92084000       4.57942000       5.13250000      -1.14728799      -1.02436580      -0.90235119
O        2.70736000       6.92864000       1.79136000       1.34262692       1.18750769      -0.14919736
O       -0.53762000      -0.80185000       4.49454000       1.89741561      -1.25243632      -0.37014604
O       -0.07204000       4.06442000       2.26246000       1.44024153      -0.25863978       0.72165292
O        1.84924000       2.32957000       3.57325000      -0.48389654      -0.90068168       1.53345758
O        0.38711000       2.19297000       5.84995000       0.49452398       0.47969387       0.27472231
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.71846707 magmom=22.0016001 free_energy=-98.72709163 stress="-0.09351943930824833 -0.026679746630341047 0.016380849307921698 -0.026679746630341047 -0.07446075128123603 -0.027736565427980562 0.016380849307921698 -0.027736565427980562 -0.09237222439689716" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.85192000       5.32195000       0.81269000       0.23661254       0.07975099       0.38179395
Cr       2.08969000       1.09408000       5.03521000      -1.18000170      -3.03437509       0.91068732
Cr       1.56058000       2.60613000       1.68389000       1.40938427       1.82848408      -0.14754851
Cr       0.31245000       3.57775000       4.16231000      -0.46460186      -0.08674755      -0.50349217
Cr       0.35343000       7.99854000       0.22568000       0.25905825      -0.54091683      -2.93101836
Cr       0.98025000      -0.89553000       3.18462000       3.54699605      -0.56600127      -2.22889551
O        0.22867000       1.64655000       0.78119000      -1.63553558       1.71222994       0.97862987
O        1.83341000       4.43208000       5.05563000      -0.35923049       1.74909489       1.11324929
O        2.73183000       7.09558000       1.83364000      -0.49974481      -0.53205059      -0.31681624
O       -0.29273000      -0.81546000       4.41273000      -3.33824794       0.05854093       2.68808363
O       -0.00520000       3.92619000       2.11017000       0.94734926      -0.45772572       2.26296611
O        1.74883000       2.34477000       3.67707000       0.32884627      -0.53043159      -1.73355959
O        1.53512000       3.96334000       0.03695000       0.74911574       0.32014781      -0.47407980
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.20314803 magmom=22.0012219 free_energy=-99.20687619 stress="-0.07066786091502554 -0.0046662099315037025 -0.005403092179486133 -0.0046662099315037025 -0.07384892977711836 -0.022859754845075818 -0.005403092179486133 -0.022859754845075818 -0.094988999180383" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.78556000       5.33058000       0.86848000       0.15663091      -0.60223530       1.33829711
Cr      -0.85672000       1.07593000       5.08222000      -1.68053960      -1.53492191       0.47798232
Cr       1.58832000       2.60998000       1.57899000       0.02535384       1.60305808       2.54397757
Cr       0.29892000       3.57295000       4.10995000      -0.85254033      -0.91147509       1.60878802
Cr       0.49107000       8.00398000       0.13179000      -0.57678175       0.80924506      -0.34822652
Cr       0.91652000      -0.86064000       3.18898000       1.48312497      -0.36935657       0.40404973
O        0.03145000       1.72922000       0.83019000       1.60317427      -1.02133139      -0.41774424
O        1.69803000       4.49542000       5.18131000       0.61887214      -0.10725434      -1.08314873
O        2.79071000       7.09650000       1.79114000      -0.99820333       0.02736931       0.02689698
O       -0.53956000      -0.78216000       4.57372000       0.41217295      -0.88504218      -2.07306142
O        0.21862000       3.80333000       2.27652000      -1.04429871       1.94136083      -1.06717196
O        1.72809000       2.24045000       3.61918000       0.33150808       0.30703155      -0.73009382
O        1.64286000       3.91327000       0.10322000       0.52152658       0.74355195      -0.68054503
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.29429829 magmom=22.0042612 free_energy=-99.30350187 stress="-0.05178347216087401 -0.0049513489131048 -0.0338647364189525 -0.0049513489131048 -0.07655175140975319 -0.02566037507741918 -0.0338647364189525 -0.02566037507741918 -0.0934624314610396" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.74906000       5.33597000       0.97569000      -0.07548644       0.05560898      -1.17746940
Cr      -0.89992000       0.97070000       5.14584000      -0.77620505       0.18532346      -0.53226080
Cr       1.63184000       2.70122000       1.63194000       0.55812698       0.27220484       0.45799853
Cr       0.23098000       3.54084000       4.14363000       0.30407233      -0.98918743       1.41402500
Cr       0.55988000       8.04407000       0.01891000      -0.94321434      -1.03299572       1.00674193
Cr       0.93745000      -0.85660000       3.15911000      -2.29837884      -0.48091728      -2.50218468
O        0.10095000       1.68057000       0.79657000       0.88932129       1.24055910       1.29487584
O        1.72055000       4.51539000       5.21269000       0.11566045      -0.83033769      -1.24832632
O        2.74339000       7.03706000       1.78005000      -0.34785517       1.59833913       0.17934264
O       -0.81970000      -0.80232000       4.45907000       3.81142489      -0.73001373       0.19625066
O        0.26635000       3.99695000       2.26176000      -0.52170660      -0.33397758       0.35044770
O        1.82481000       2.13924000       3.51956000      -0.21584556       0.76726234       0.45722746
O        0.63346000       2.05734000       5.99498000      -0.49991393       0.27813158       0.10333143
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.80997201 magmom=22.0000719 free_energy=-99.81132759 stress="-0.07987318370436679 -0.015006024752748658 -0.0008485700904318177 -0.015006024752748658 -0.06279533525446386 -0.01967203845744695 -0.0008485700904318177 -0.01967203845744695 -0.06478172030632592" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.72860000       5.39218000       1.01789000      -0.47177174       0.13439449      -2.84223661
Cr       2.00127000       0.86090000       5.16564000       0.16870889      -0.07494589      -1.53765591
Cr       1.69456000       2.80838000       1.74441000       1.34320938       0.23760996      -0.61369635
Cr       0.18182000       3.46466000       4.25607000       2.71679665      -1.52183285      -0.54409674
Cr      -0.62252000       6.19120000       5.97639000      -0.79550660      -0.37499419       0.64601546
Cr       0.87392000      -0.88711000       3.02351000       1.96257448       0.12778050       0.55305535
O        0.39982000       1.75644000       0.86332000      -1.49019137      -0.51623428       0.55588908
O        1.80921000       4.39728000       5.10164000      -1.15193002       1.59018686       0.97128866
O        2.65234000       7.13660000       1.77379000      -0.60824474       1.23368669      -2.01530440
O       -0.54988000      -0.87256000       4.29359000      -0.35713049      -0.36603156       1.15642426
O        0.18230000       4.11671000       2.27994000       0.55115930      -1.75717703       2.36917543
O        1.91681000       2.15322000       3.57402000      -0.98687534       0.27948144      -0.33221297
O        0.68877000       2.08379000       5.85693000      -0.88079842       1.00807586       1.63335475
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.36871049 magmom=21.9977921 free_energy=-100.36871327 stress="-0.04502530005960252 -0.04162203130058306 0.02106489190508103 -0.04162203130058306 -0.05018804866210665 -0.00434384206438172 0.02106489190508103 -0.00434384206438172 -0.04284919422037294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71450000       5.46834000       0.95759000       0.05982097      -1.65488360      -0.42045221
Cr       1.95177000       0.79310000       5.12520000      -0.19739433       0.31419728      -0.04810594
Cr       1.79556000       2.88383000       1.81043000      -0.83683331      -1.55327226      -1.50793636
Cr       0.25056000       3.36176000       4.33379000       0.93495747      -0.15027588       0.53231276
Cr      -0.71019000       6.18202000       5.95293000      -0.08680154       1.29385868       0.58580659
Cr       1.07518000       7.18466000       2.89897000       1.30861218       0.52095149       0.66525983
O        0.40092000       1.79815000       0.91240000      -0.89554322       0.05295434       0.43776983
O        1.77636000       4.46093000       5.16050000      -0.06330606      -0.81774099      -0.49612322
O        2.56731000       7.31500000       1.55892000       0.08390466      -0.02352927       1.01514075
O       -0.36166000      -0.91713000       4.36616000      -0.85963816      -0.00476364      -0.96259008
O        0.15895000       4.01849000       2.51908000       1.17256473       1.74124425      -0.93396296
O        1.84781000       2.18141000       3.64213000      -0.68673608      -0.22642111      -0.24715894
O        0.62333000       2.09888000       5.92522000       0.06639268       0.50768072       1.38003995
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.28837139 magmom=21.9981587 free_energy=-100.28837552 stress="-0.042720240772096525 -0.011863902252242877 0.029345997076479127 -0.011863902252242877 -0.04719110156048035 0.009649121950288293 0.029345997076479127 0.009649121950288293 -0.05034755010950164" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71075000       5.48662000       0.90529000       0.24268240      -1.43134392       1.87027134
Cr       1.91969000       0.77886000       5.10182000      -0.48461716       0.37780120       0.78012393
Cr       1.84322000       2.87938000       1.81099000      -1.70345997      -0.24088572       0.02817528
Cr       0.34806000       3.28765000       4.40079000      -1.55280757       1.08198905      -0.66133991
Cr      -0.80395000       6.23144000       5.95634000       0.03183064       1.09512171      -0.57391238
Cr       1.15147000       7.18227000       2.82008000      -0.31086780       0.41808591       2.26025884
O        0.20925000       1.82986000       0.91084000       1.09022368      -0.49428909       0.34722872
O        1.75370000       4.42083000       5.21242000       0.72148477      -0.23643790      -1.39199834
O        2.58426000       7.38059000       1.55506000       0.57886269      -0.70756522       0.49141341
O       -0.43242000      -0.91055000       4.30208000      -0.10553011      -0.23568976      -1.06240932
O        0.28571000       4.11598000       2.54334000      -0.04708434      -0.29303297      -0.21085381
O        1.71696000       2.14508000       3.70506000       1.29989440       0.10329486      -1.09202163
O        1.74413000       3.92399000       0.10512000       0.23938837       0.56295187      -0.78493612
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.73125793 magmom=21.9989308 free_energy=-99.73140162 stress="-0.08131074164903955 0.0070426722644135594 -0.021564006933735433 0.0070426722644135594 -0.05906101837433578 -0.004705031144591272 -0.021564006933735433 -0.004705031144591272 -0.07312966916936803" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.73025000       5.46063000       0.94489000       0.39997668      -1.26803688       0.77339424
Cr       1.86466000       0.80474000       5.12910000       0.16214129       0.08224670      -0.33761221
Cr       1.78862000       2.84916000       1.81757000      -0.38159064      -0.24081341      -0.12967713
Cr       0.37223000       3.28346000       4.41944000      -0.00898653      -0.00311926      -1.78183894
Cr       1.85554000      -1.75062000       5.93307000       0.05670698      -2.09436857      -0.58359731
Cr       1.22953000       7.20315000       2.84787000      -1.38112664       0.28449087       0.05311214
O        0.16182000       1.78586000       0.86256000       1.01455830       0.13454734       1.10038771
O        1.89005000       4.30645000       5.15162000      -0.30518468       1.52074912       0.23900833
O        2.79206000       7.24370000       1.64924000      -1.03133237       0.86118781      -2.39971544
O       -0.62430000      -0.87816000       4.07057000       2.55456168      -0.08650203       4.00534258
O        0.40684000       4.12628000       2.44850000      -1.03189494      -0.80867747       1.01143157
O        1.82351000       2.09176000       3.67544000       0.24485495       0.88740251      -0.56492022
O        1.81610000       3.89025000       0.16202000      -0.29268409       0.73089327      -1.38531532
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.17045411 magmom=22.0007241 free_energy=-99.17046473 stress="-0.04996778022514508 -0.0016964763401945155 0.005982981392659204 -0.0016964763401945155 -0.11778865635660635 -0.023963629977841704 0.005982981392659204 -0.023963629977841704 -0.06899184929112655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.81627000       5.36607000       1.05903000       0.21401295      -1.27455430      -2.04494619
Cr       1.81453000       0.85241000       5.16160000       1.66112272      -0.47461797      -1.30095552
Cr       1.67602000       2.78942000       1.82061000       1.99982799      -0.97719185      -1.77960668
Cr       0.39104000       3.33011000       4.32886000       1.50322125       0.40286680       0.69202085
Cr       1.67028000      -1.69971000       5.87828000       0.40415501      -2.88017689      -0.04940053
Cr       1.06835000      -0.86545000       2.90343000       0.26346278       0.48782030      -0.12749645
O        0.27665000       1.73966000       0.86584000      -0.61184439       1.11400437       1.44312023
O        2.00966000       4.39155000       5.18186000      -1.20232810      -0.11753285      -0.62017650
O       -0.00733000       7.16715000       1.42865000      -1.29698639       1.43460926       3.26681013
O       -0.58662000      -0.79485000       4.34628000       1.64469447      -0.46020820      -1.97928648
O        0.30015000       3.94640000       2.42365000      -0.97373619       1.04810125       0.71887240
O        2.05984000       2.09877000       3.60860000      -1.49025186      -0.15812288      -0.00485078
O        0.76377000       2.08362000       5.99264000      -2.11535023       1.85500296       1.78589551
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74383775 magmom=22.0024199 free_energy=-99.74387403 stress="-0.03586310844512855 -0.028145999083099345 0.0045201632866068596 -0.028145999083099345 -0.06373408253143323 -0.0002219718009756144 0.0045201632866068596 -0.0002219718009756144 -0.046369677753070854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04475000       5.26472000       1.11172000       0.08752616       1.88160202      -2.35216286
Cr       1.85153000       0.90346000       5.15017000       0.25980029      -0.12079737       0.49455659
Cr       1.65470000       2.69320000       1.76666000       0.20858887       0.48023913       0.48412250
Cr       0.47035000       3.42125000       4.26417000      -0.62364972      -0.42243378       1.40410943
Cr       1.73761000       6.29556000       5.83964000       0.87879560       0.04968569       0.87941470
Cr       1.09961000      -0.82839000       2.91198000       1.37535321       0.49474716       1.26674370
O        0.18788000       1.82571000       0.93945000      -1.09865531      -1.27684652      -1.00936157
O        1.90887000       4.46104000       5.16461000       0.21730819      -0.76406175      -0.67909148
O       -0.08972000       7.25543000       1.61040000      -1.43091806      -0.48946540       0.47319372
O       -0.31387000      -0.75977000       4.48622000       0.19331273      -0.59691666      -1.62910623
O        0.03527000       3.90275000       2.42048000       1.51479857       0.45800263       0.57342281
O        2.04316000       2.06914000       3.62537000      -1.15567147       0.90940261      -0.62447912
O        0.62656000       2.27850000       5.95024000      -0.42658906      -0.60315777       0.71863781
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61692196 magmom=21.9993449 free_energy=-99.62117809 stress="-0.057133691218320896 -0.008289747564390375 0.040044738767917 -0.008289747564390375 -0.03872974996290746 0.0002811635210199667 0.040044738767917 0.0002811635210199667 -0.06637786568555576" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06357000       5.28483000       1.06886000       0.17432275       1.55329471      -1.72971907
Cr       1.92224000       0.95290000       5.15934000      -0.16844049      -0.83757473      -0.17437380
Cr       1.64057000       2.63989000       1.75044000      -1.48724881       1.08200168       0.10289170
Cr       0.49126000       3.48308000       4.27288000      -2.40576415      -1.31777197       0.16858259
Cr       1.70582000       6.19111000       5.85492000       0.52561439       1.32012537       0.79656121
Cr       1.15711000      -0.78885000       2.96006000      -1.22793819       0.16029970       1.90884421
O       -0.02662000       1.72468000       0.78102000       1.21609007      -0.40336667       0.47629386
O        1.86205000       4.43558000       5.11510000       1.23331158      -0.09998044       0.38479891
O        2.71977000       7.19625000       1.79296000       2.26819615      -0.51914919      -3.27506858
O       -0.15796000      -0.79687000       4.37836000      -1.52001314       0.18027335       1.16829346
O        0.04307000       3.97206000       2.41008000       0.91380740      -0.90337053       0.57283519
O        1.82427000       2.14081000       3.64965000       0.21066805       0.53670946      -0.55675349
O        0.43539000       2.31753000       5.99758000       0.26739438      -0.75149075       0.15681381
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61813439 magmom=22.0004575 free_energy=-99.62365159 stress="-0.0439848606795998 0.023206559556108588 0.027219386598104578 0.023206559556108588 -0.0894904332073 -0.025991805110229704 0.027219386598104578 -0.025991805110229704 -0.06842936182981907" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14890000       5.36046000       0.95551000       0.74662837      -2.79375893      -0.48175909
Cr       1.98535000       0.97077000       5.17243000      -0.91028081      -0.57001426      -0.60806307
Cr       1.56097000       2.64182000       1.74212000       0.23412965       0.66301682      -0.91928515
Cr       0.39025000       3.48590000       4.28690000      -0.45390558      -0.71264895      -0.04592226
Cr       1.72975000       6.15538000       5.90864000       0.63077149       1.11422438      -0.63567680
Cr       1.16864000      -0.76332000       3.06005000       0.11916642      -0.60486442      -1.76603396
O       -0.04631000       1.63234000       0.67570000       0.23652679       1.44120506       2.32375317
O        1.96194000       4.40420000       5.17370000      -1.17925517      -0.05867538      -0.73141587
O        2.85135000       7.04736000       1.57882000      -0.90930686       2.40669643       2.96238704
O       -0.29912000      -0.77067000       4.38750000      -0.32097967      -0.16241706      -0.09694694
O        0.22078000       3.95727000       2.38682000      -0.58930511       0.23240285       0.12170208
O        1.69295000       2.24160000       3.66126000       1.40263644      -1.08450713      -0.00395798
O        1.45477000       4.05248000       0.04657000       0.99317406       0.12934060      -0.11878118
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62103962 magmom=21.9980677 free_energy=-99.62886172 stress="-0.08520503380696941 0.013205180250000063 -0.017923304876126176 0.013205180250000063 -0.07149349746022708 -0.021987309590380963 -0.017923304876126176 -0.021987309590380963 -0.09457802972080417" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24715000       5.32843000       0.83174000      -0.00621564      -0.52589931       2.33297914
Cr       2.00062000       0.95126000       5.16286000      -1.59250092       0.08289386       0.59541260
Cr       1.50130000       2.68081000       1.70732000       1.45207710       0.90693222       1.11900353
Cr       0.25966000       3.45794000       4.27807000       1.18297580      -0.81134060      -1.16725808
Cr       1.82837000       6.18149000       5.97132000       0.75102618       1.73261721       0.43496293
Cr       1.16221000      -0.77943000       3.06614000      -1.50276218      -0.33842608      -2.10478382
O       -0.01394000       1.77612000       0.88731000       0.37599608      -1.62650061      -0.73259455
O        1.83039000       4.39332000       5.18216000      -0.79942613       0.80801084      -1.00120797
O       -0.03377000       7.14661000       1.73670000      -1.48149670      -0.56084260      -0.64400833
O       -0.55859000      -0.69669000       4.37540000       2.65732799      -1.86783711       1.35949374
O        0.27209000       3.98541000       2.32527000      -1.44437116       0.61875828       0.92211497
O        1.80072000       2.17531000       3.69178000      -0.46348296       0.46533602      -0.99125993
O        1.50000000       3.88365000       0.06338000       0.87085255       1.11629788      -0.12285422
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.7207901 magmom=21.9964531 free_energy=-99.73006446 stress="-0.06646071897293784 -0.022840784701831048 -0.010942868939908578 -0.022840784701831048 -0.04523822315158327 -0.011680127788068647 -0.010942868939908578 -0.011680127788068647 -0.06642905115970096" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.33737000       5.25953000       0.80006000      -0.82886101       1.81987186       0.71866003
Cr       1.94206000       0.90698000       5.16852000      -0.64820355      -0.42224918       0.04939745
Cr       1.53018000       2.77087000       1.74129000       1.19911565       0.40367389       0.67703101
Cr       0.17454000       3.42000000       4.20702000       0.81485071       0.79031068       0.63766986
Cr       2.96311000       0.03948000       0.05561000      -0.37993917      -1.21128015      -0.29327569
Cr       1.09940000      -0.82094000       2.98149000      -0.24570803      -0.23781268       2.62305112
O        0.06262000       1.75476000       0.98030000      -0.11619127       0.28382206      -0.09109367
O        1.56987000       4.47760000       5.10050000       1.44139759      -0.17266190       0.41156938
O        2.81356000       7.18054000       1.83327000      -0.42346705      -1.02615143      -3.06602455
O       -0.56397000      -0.78993000       4.48835000       1.38564274      -0.88413390      -1.21824121
O        0.07679000       4.08762000       2.36686000       0.26353113      -0.73911232      -0.20894572
O        1.87253000       2.13168000       3.62898000      -1.65521673       0.01856002      -0.67062185
O        0.50418000       1.97721000       6.02006000      -0.80695100       1.37716306       0.43082384
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.06934696 magmom=21.9954587 free_energy=-100.07059639 stress="-0.027973524509189995 -0.027032298273316564 0.014936519207258678 -0.027032298273316564 -0.03513060297428103 -0.0012500670799951794 0.014936519207258678 -0.0012500670799951794 -0.05384715356595472" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.35160000       5.27207000       0.80786000      -0.93054101       1.99781317      -0.08986129
Cr       1.87483000       0.84559000       5.17890000      -0.35023407      -0.18477861      -0.90513421
Cr       1.62066000       2.87432000       1.81316000      -1.00272867      -1.52304467      -2.48093275
Cr       0.13057000       3.44377000       4.17261000       0.60242714      -0.16149208       1.84564045
Cr       0.13235000       0.06944000       0.14341000      -0.31163026      -2.01375514      -2.06539479
Cr       1.02372000      -0.88255000       2.99324000      -0.26138525      -0.64984695       0.33981645
O        0.13272000       1.78521000       0.94598000      -0.11154666       1.42753677       1.22006260
O        1.62736000       4.48924000       5.08789000       1.01495695      -0.59777829      -0.61674302
O        2.62780000       7.02690000       1.54707000       0.12680567      -0.22388568       1.84824031
O       -0.44270000      -0.92494000       4.42243000      -0.02248683       0.78489426      -0.71316519
O       -0.03470000       4.08905000       2.36178000       1.78297944       0.39889563       0.64426694
O        1.70252000       2.09973000       3.55930000      -0.29938706       0.61681983       0.68389472
O        0.47470000       2.10248000       5.98958000      -0.23722941       0.12862175       0.28930979
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.83368079 magmom=21.9968385 free_energy=-99.83452612 stress="-0.07280170139529227 0.03326719562502806 0.043908904041349 0.03326719562502806 -0.04726146294170167 -0.030906384475436234 0.043908904041349 -0.030906384475436234 -0.06472687075424838" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27192000       5.35735000       0.79373000      -0.00908386      -1.34610351       0.33863570
Cr       1.81542000       0.80009000       5.15335000      -0.57514201       1.66335026      -0.85585347
Cr       1.66677000       2.90882000       1.78180000      -0.27838086       0.49280754      -0.21190123
Cr       0.13715000       3.46374000       4.22707000       2.67301150      -2.24923771      -0.59716352
Cr       0.24229000      -0.00279000       0.13301000      -0.40781647       0.04541914      -0.88494719
Cr       1.13715000       7.11534000       3.02247000       0.97695440      -0.49000126      -1.62886335
O        0.18762000       1.95599000       0.94939000      -0.22465168      -2.40466493       0.05297875
O        1.89891000       4.42329000       5.08467000      -2.46238519       2.60728278       0.75994361
O        2.58319000       6.89965000       1.57909000      -0.51269934       2.62753905       1.13215506
O       -0.46458000      -0.84732000       4.24885000      -1.23534107      -0.19897393       2.44278171
O        0.16942000       4.13805000       2.38320000       0.04381601      -0.37095208       0.60408259
O        1.51920000       2.15319000       3.64667000       1.31999560       0.42922438      -0.92817667
O        0.37647000       2.20571000       6.01484000       0.69172297      -0.80568972      -0.22367199
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74710508 magmom=22.0006687 free_energy=-99.7540113 stress="-0.058802451406985354 0.015843749153776194 0.004346342144552657 0.015843749153776194 -0.06633261561196288 -0.026688447225405927 0.004346342144552657 -0.026688447225405927 -0.06763273107548769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13000000       5.39385000       0.79555000       0.16519972      -0.57720888       1.84283578
Cr       1.74555000       0.84774000       5.09368000      -0.73916092       1.52300536       0.80846635
Cr       1.69591000       2.91995000       1.72516000       0.43950329      -1.00681041      -0.05204116
Cr       0.25228000       3.40964000       4.27434000      -0.25522036       1.33052891       0.41368902
Cr       0.49396000       8.04693000       0.06276000      -0.21533461       2.99194643       1.06072044
Cr       1.08743000       6.99224000       3.00849000      -0.04447635       0.49665229       2.09052807
O        0.19031000       1.80245000       0.86985000       0.10145358       0.67806961       0.84687904
O        1.92173000       4.62043000       5.22886000      -0.82848508      -2.63688409      -2.61553520
O        2.62910000       7.05372000       1.81781000      -0.61527841       0.00350857      -2.78049269
O       -0.71890000      -0.75991000       4.36213000       1.83572183      -2.36482095      -0.33928083
O        0.41195000       4.17441000       2.42444000      -1.51289893      -0.03105726       0.12811501
O        1.61960000       2.25207000       3.66159000       1.59575016      -0.38888046      -1.00511408
O        1.55435000       4.07641000       0.01202000       0.07322608      -0.01804911      -0.39876976
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.22815631 magmom=22.0003803 free_energy=-100.23051246 stress="-0.03745790935960211 -0.012000207255801696 -0.009374863710406729 -0.012000207255801696 -0.04879477991069685 -0.002639800865330415 -0.009374863710406729 -0.002639800865330415 -0.06282907309540989" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01613000       5.40420000       0.87730000       0.37995005      -0.05309049       0.32975700
Cr       1.68087000       0.95103000       5.06541000       0.85124534      -1.84809059      -0.23375510
Cr       1.73804000       2.86819000       1.68788000      -0.12752877       0.04609352       0.65734826
Cr       0.36700000       3.41826000       4.30786000       0.35150480       1.18320153      -0.61946432
Cr       0.30022000       0.02819000       0.01791000      -0.89407171      -1.82572328       1.89860399
Cr       1.04553000       6.90812000       3.07915000      -0.17030403       0.61890788      -0.03477516
O        0.18741000       1.76871000       0.84577000       0.25054393       1.86475770       0.74476317
O        1.83949000       4.48324000       5.15779000       0.52481490      -0.08541739      -0.64636121
O        2.66671000       7.13420000       1.71363000      -0.71410156       0.33938828      -0.11414909
O       -0.77356000      -0.94166000       4.42220000       1.66644035       1.30464887      -1.72961599
O        0.38440000       4.18909000       2.41629000      -0.52088706      -0.91641703       0.25337874
O        1.97582000       2.26520000       3.59029000      -1.27495666      -0.29903000      -0.36521583
O        0.49425000       2.23957000       6.00747000      -0.32264959      -0.32922900      -0.14051448
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47562559 magmom=22.0009859 free_energy=-99.47587326 stress="-0.07876629301767428 -0.015794451823522702 0.012333952089584753 -0.015794451823522702 -0.07207674243950621 -0.018843453005153228 0.012333952089584753 -0.018843453005153228 -0.0626596393348146" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.86182000       5.41656000       0.97227000       0.55586103      -2.15601605      -1.83751786
Cr       1.69045000       0.97296000       5.03567000       1.09807777      -1.23774659      -0.40696919
Cr       1.76446000       2.80469000       1.70512000      -0.47200729       1.97447232       0.84575689
Cr       0.46092000       3.48237000       4.27869000      -0.61140652      -1.57076640      -1.00098365
Cr       0.22336000       0.08251000       0.04252000      -0.33928561      -1.10555781       0.22720545
Cr       1.00947000       6.86780000       3.14144000       1.37895190       0.62953863      -2.94236936
O        0.23686000       1.96444000       0.83375000       0.11680665      -1.84324395      -0.70536692
O        1.93094000       4.31460000       5.10689000       0.66010268       2.84944606       0.94011464
O        2.66063000       7.11806000       1.58623000      -0.52684111       2.42160215       1.98188439
O       -0.62922000      -0.98153000       4.27176000      -0.80615893       0.99592379       2.43457154
O        0.22895000       4.10276000       2.37420000       0.54726591      -0.38757205       0.69379521
O        2.09427000       2.19150000       3.54682000      -1.26896933       0.09556425      -0.26202816
O        0.55835000       2.26967000       5.97812000      -0.33239715      -0.66564434       0.03190702
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.53691574 magmom=22.002125 free_energy=-99.53959282 stress="-0.03740971507253191 -0.008811260198610933 -0.0050633040232164655 -0.008811260198610933 -0.07566529578959139 -0.0011509098785121906 -0.0050633040232164655 -0.0011509098785121906 -0.06928168550142409" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.78879000       5.38499000       1.01637000       0.51703312       0.40106457      -1.84954976
Cr       1.79416000       0.92286000       4.99135000       0.10373023      -0.37202763       0.83090121
Cr       1.76221000       2.80093000       1.75661000      -0.84049534      -0.72471612      -2.85050331
Cr       0.52119000       3.49616000       4.19663000      -0.31388488      -0.52209856       2.57764290
Cr       0.09266000       0.09057000       0.08077000       0.11601323      -0.59081183      -0.24414400
Cr       1.03438000       6.86883000       3.05908000       1.19231112       1.50376587       1.00280407
O        0.28764000       1.89743000       0.69100000      -0.51406260       0.55916308       2.52560519
O       -0.81098000       4.56736000       5.27287000      -1.01646760      -1.43574058      -1.16138468
O        2.65142000       7.20424000       1.74367000      -0.89076297       0.00194734       0.03040830
O       -0.63705000      -0.83915000       4.39203000       0.38793160      -1.21208769      -0.94293678
O        0.12101000       3.99180000       2.36066000       1.48816872       0.94559299       0.55988304
O        1.91680000       2.11392000       3.53714000      -0.09856743       1.58355698      -0.41559129
O        0.61827000       2.24714000       5.94388000      -0.13094720      -0.13760842      -0.06313491
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.04250089 magmom=22.000548 free_energy=-99.05122586 stress="-0.0763963717488793 0.02226447149265505 0.0137444913151987 0.02226447149265505 -0.0912454187273084 -0.028951184275076397 0.0137444913151987 -0.028951184275076397 -0.06719312943553346" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.75196000       5.39489000       1.00132000       0.47913485       0.34712454      -1.10097435
Cr       1.95781000       0.86806000       4.99150000      -0.37112435       1.36064738       0.69826524
Cr       1.71973000       2.76895000       1.67716000      -0.35413118       1.21816989       0.14252331
Cr       0.56121000       3.50373000       4.23407000      -1.80938057       1.19478898       1.99369742
Cr       2.93123000       0.07241000       0.10309000      -0.11640097       0.29012243       0.21679369
Cr       1.13840000       6.95509000       2.98431000      -1.82968773       0.42015190       3.31191044
O        0.19507000       1.82572000       0.86215000       0.26506919       0.28266970       0.06419753
O       -0.71822000       4.64549000       5.36345000      -0.84628146      -2.72583488      -1.16650995
O        2.59185000       7.20547000       1.89246000       1.02897489       0.28708762      -3.27479266
O       -0.73661000      -0.89915000       4.40394000       1.60015261      -1.34903589      -0.48174465
O        0.19961000       4.02527000       2.35643000       0.16153004       0.11063164       0.03785966
O        1.65168000       2.21197000       3.54195000       2.13126323      -1.43839907      -1.09829229
O        0.71106000       2.17191000       5.87622000      -0.33911855       0.00187576       0.65706661
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.08541348 magmom=22.0012251 free_energy=-99.08600223 stress="-0.06757604699408182 0.011662017568743693 0.01144569455822133 0.011662017568743693 -0.06410602250500647 -0.0031404580959917103 0.01144569455822133 -0.0031404580959917103 -0.06798973736466596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.76199000       5.43226000       0.96018000      -0.12918091      -2.78791365       0.37381374
Cr      -0.87073000       0.88327000       5.03199000      -0.50070874      -0.59953309      -0.78831032
Cr       1.64508000       2.79137000       1.60622000       0.33589310       1.43053041       2.22658194
Cr       0.52976000       3.56264000       4.35960000       0.35908030      -2.19542945      -2.52315088
Cr       2.80249000       0.04923000       0.10701000       1.02353472       0.05008599      -2.48481212
Cr       1.17680000       7.08236000       3.03278000      -1.52752509       0.19118445      -0.91094771
O        0.11462000       1.75448000       0.99989000       0.76702624      -0.21955630      -1.45853955
O        2.11102000       4.35471000       5.33897000      -1.24550183       1.88840518      -1.22304521
O        2.66833000       7.15530000       1.63084000      -0.62694782       0.76690591       3.13249459
O       -0.64924000      -1.14940000       4.32139000       1.65754223       0.94551066       1.24512170
O        0.27292000       4.11559000       2.30488000      -0.30981917      -0.39750071       1.05334070
O        1.66658000       2.14040000       3.46460000       0.72291062       0.45812855       0.63356488
O        0.78315000       2.04214000       5.89048000      -0.52630366       0.46918205       0.72388825
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58971848 magmom=21.9979442 free_energy=-99.59633744 stress="-0.05585656230916337 -0.021300741164828264 -0.005659873413626584 -0.021300741164828264 -0.041512189334525586 0.00464727956539659 -0.005659873413626584 0.00464727956539659 -0.05924123877341751" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.79739000       5.37477000       0.95889000      -0.18110287      -0.16425583      -0.08600940
Cr      -0.76760000       0.88923000       5.03358000      -0.81228240      -1.55571805       0.01912486
Cr       1.60416000       2.86348000       1.68047000       1.43376376      -1.86905810       0.27101119
Cr       0.47443000       3.53330000       4.33938000      -2.70194840      -2.73395913      -2.62962392
Cr       2.76213000       0.01020000       0.01509000       0.41951572      -0.53958159      -0.52601273
Cr       0.95412000      -0.91012000       3.04904000       1.73608494      -0.24737378       0.25283346
O        0.14740000       1.69932000       0.81379000       0.32860972       1.94229248       0.93903683
O        1.80237000       4.36937000       5.22284000       2.08775265       1.67301441       0.53847850
O        2.70805000       7.16588000       1.75884000      -0.83484770       0.17253818      -0.58622538
O       -0.42056000      -1.15156000       4.38525000      -0.92712154       0.85356817       0.37914749
O        0.21228000       4.11632000       2.34257000      -0.12631208      -0.81718461       1.20957584
O        1.83175000       2.10767000       3.52661000      -0.02784854       1.48315156       0.18204723
O        0.77579000       1.91151000       5.97044000      -0.39426327       1.80256630       0.03661602
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.44079443 magmom=22.0047879 free_energy=-99.44435844 stress="-0.06097419011221163 -0.03640651720462304 0.010636898453486658 -0.03640651720462304 -0.0828244719946921 -0.0038277287537361623 0.010636898453486658 -0.0038277287537361623 -0.06346592318219402" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.83228000       5.32468000       0.97235000      -0.14270171       0.97120086      -0.75259666
Cr      -0.73643000       0.85064000       5.04167000      -1.14964084       0.53333050       0.42819059
Cr       1.64547000       2.84299000       1.77280000       0.52309974      -1.23625307      -2.12195078
Cr       0.32250000       3.41266000       4.21854000       1.29941973       1.56450713       3.26264851
Cr       1.82381000       6.21366000       5.94508000       0.50195650       2.37955815       1.97396605
Cr       0.99504000      -0.84169000       3.06258000       0.29594690      -0.50064477       0.70402947
O        0.20175000       1.87079000       0.72833000      -0.29155666      -1.17953827       2.37844311
O        1.76613000       4.53802000       5.18495000       0.03108377      -3.30486903      -1.14241628
O        2.65906000       7.18688000       1.84446000       0.53756536      -0.11110270      -2.13237708
O       -0.38701000      -0.96155000       4.46357000      -0.36639351      -0.59673340      -0.87258413
O        0.10031000       4.00044000       2.43009000       0.85420101       0.90088783      -0.65707080
O        1.96957000       2.25762000       3.68015000      -1.93753938      -1.28992090      -1.39375008
O        0.70829000       1.96791000       5.96698000      -0.15544091       1.86957768       0.32546807
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.20546707 magmom=21.9998281 free_energy=-100.20547591 stress="-0.06086170938589195 -0.02482296946771176 0.0039175036438030145 -0.02482296946771176 -0.08336231380240099 -0.017463728341029605 0.0039175036438030145 -0.017463728341029605 -0.05315557282160037" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.85919000       5.35448000       0.96363000      -0.02938439      -0.27890762      -1.16539573
Cr      -0.76372000       0.84976000       5.08544000      -1.12159380       2.17971330       1.30637461
Cr       1.71923000       2.75677000       1.76911000      -0.60450261       1.14675857      -0.81489879
Cr       0.23696000       3.38538000       4.25771000       1.18799055      -0.06254498       0.42423825
Cr       1.88709000       6.25565000       5.95303000       0.39630348      -0.58347351       0.66209308
Cr       1.05354000      -0.79591000       3.09735000      -1.09546885      -0.56941741      -2.50324293
O        0.20110000       1.84528000       0.90377000       0.17861442      -1.52842774      -0.46048807
O        1.77233000       4.31513000       5.11410000      -0.28711587       2.07483041       0.29419495
O        2.70735000       7.16924000       1.64303000       0.07149970       0.79179147       1.46647575
O       -0.51707000      -0.86252000       4.39616000       1.01505453      -1.86433234      -0.50502362
O        0.13581000       4.01481000       2.34236000       0.65734920      -0.30804038       1.24666685
O        1.79742000       2.19543000       3.63679000      -0.25072054      -0.79238002      -0.97737906
O        0.56496000       2.17235000       5.89431000      -0.11802582      -0.20556974       1.02638474
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.84232339 magmom=22.0012113 free_energy=-99.84412475 stress="-0.05118441757005072 -0.013074673845596537 -0.015511909709174557 -0.013074673845596537 -0.049141654944812936 -0.011462486096464204 -0.015511909709174557 -0.011462486096464204 -0.05485387928461777" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.89373000       5.39262000       0.91300000       0.44201484      -0.97208162       0.57353494
Cr      -0.84498000       0.92848000       5.18413000      -0.42201396      -1.58317504      -0.97369870
Cr       1.77195000       2.70128000       1.72388000      -0.78503915       1.08262391       0.69536138
Cr       0.23136000       3.39492000       4.32641000       0.51795382      -0.32869070      -2.17091898
Cr       1.80338000      -1.83164000       6.01196000       0.03427117      -1.59159764      -1.61360008
Cr       1.04987000      -0.77515000       3.00654000      -0.99039372      -0.25064128      -1.24977285
O        0.21143000       1.62301000       0.95631000       0.81300919       2.28811660      -0.12705689
O        1.74240000       4.36121000       5.14787000      -0.19570951       1.23431047      -0.64956182
O        2.81048000       7.16229000       1.63974000      -0.94939900       0.62496806       0.80950716
O       -0.57172000      -0.91413000       4.27869000       1.20890486       0.29033930       1.81173683
O        0.26436000       4.03519000       2.33157000      -0.50508817      -1.12980184       0.93123519
O        1.52800000       1.94489000       3.48407000       0.67451938       0.88383849       1.23086705
O        0.33190000       2.29742000       5.96343000       0.15697025      -0.54820870       0.73236677
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47608426 magmom=21.9993375 free_energy=-99.48821197 stress="-0.05929427070441497 -0.013341282042504763 -0.010097399056991658 -0.013341282042504763 -0.04706775025361798 -0.028218874369434314 -0.010097399056991658 -0.028218874369434314 -0.0588722123050967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03350000       5.38319000       0.88556000      -0.02127723      -0.15249361       1.21720747
Cr       2.03028000       0.93168000       5.24263000      -0.03171929      -0.98174563      -1.78068158
Cr       1.78617000       2.68910000       1.73205000      -0.72049684       0.45535173       1.37740254
Cr       0.26180000       3.40080000       4.27097000      -0.29261235      -0.05016308       0.69096142
Cr      -0.86649000       6.21763000       6.01534000       0.07651142       1.31350146      -0.53699071
Cr       1.01038000      -0.77509000       2.87760000       1.00031838       0.21787963       3.76100786
O        0.31002000       1.73739000       0.85842000      -0.27024978      -0.02252874       0.92311261
O        1.70737000       4.58008000       5.17184000       0.14119238      -2.49878714      -1.33935469
O        2.75937000       7.14572000       1.71368000      -1.41798698       0.31909084      -1.86480293
O       -0.50988000      -0.81729000       4.37328000      -0.01454022      -0.10299518      -0.73263513
O        0.25315000       3.90529000       2.42077000      -0.41199207       0.47520296      -0.50074845
O        1.40977000       1.83977000       3.58188000       0.63852306       1.32272208      -0.12523554
O        1.27620000       4.18564000       0.12036000       1.32432950      -0.29503532      -1.08924285
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.4304592 magmom=21.9990454 free_energy=-99.43989241 stress="-0.06483999191557796 0.010835496039963187 0.009999873361028139 0.010835496039963187 -0.07250565119468258 -0.023888523788899867 0.009999873361028139 -0.023888523788899867 -0.07824220527410158" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02445000       5.35289000       0.91957000       0.04004692      -0.77752893      -0.01005092
Cr       1.89167000       0.87782000       5.21023000      -0.42036034       1.95728098       0.63368418
Cr       1.76766000       2.68934000       1.83167000      -1.31842459      -0.16503057      -0.71493882
Cr       0.28939000       3.42413000       4.23178000      -1.07660531      -0.72668135       2.46489737
Cr      -0.73485000       6.21455000       5.96019000      -0.44628694       0.47534092      -0.22476491
Cr       1.00327000      -0.77010000       2.93648000      -0.93294280       0.13717940       0.34766168
O        0.32442000       1.87680000       0.84404000      -0.66674109      -2.92097694       1.09764820
O        1.78089000       4.41140000       5.05461000       0.17211640       0.96705939       0.03369174
O        2.56201000       7.13502000       1.53259000       0.46663048       0.96805932       0.76942247
O       -0.50164000      -0.65657000       4.33617000       0.61489484      -2.30736625      -1.13945176
O        0.12668000       3.85502000       2.41535000       1.18867421       1.98428331      -0.06755385
O        1.42602000       1.96815000       3.76040000       1.24157289       0.85494095      -2.47320175
O        1.31557000       4.17743000       0.08335000       1.13742533      -0.44656024      -0.71704364
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.53505548 magmom=21.9961715 free_energy=-99.5357065 stress="-0.06954059794254615 0.008419496424348274 0.027264540009445632 0.008419496424348274 -0.040712886858522306 -0.013890374713424355 0.027264540009445632 -0.013890374713424355 -0.07099419774531765" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05990000       5.29570000       0.95092000       0.19763070       1.69679790      -1.78127725
Cr       1.73727000       0.90103000       5.18989000       0.33698772      -0.48202478       0.13652670
Cr       1.69085000       2.67791000       1.90498000      -0.45869199       0.81408981      -3.60129397
Cr       0.28607000       3.42633000       4.29210000       1.09591306      -0.97782830      -0.68774500
Cr      -0.63139000       6.25346000       5.88087000      -0.82756974      -1.86535058       0.50139347
Cr       0.95710000      -0.76399000       3.02490000      -0.11207099      -0.42039809      -4.37387140
O        0.17658000       1.60837000       0.95415000       0.13591142       2.07785357       0.54099585
O        1.88739000       4.32565000       5.03969000      -1.23526486       2.62005259       1.36756899
O        2.52580000       7.17243000       1.45144000       0.37992817      -0.02536907       0.97865165
O       -0.52379000      -0.72147000       4.15968000      -0.17369167       0.06022371       3.22595148
O        0.13194000       4.08128000       2.35627000       0.49296236      -2.18150659       1.98568509
O        1.70331000       2.20794000       3.66532000       0.74224297      -0.93042671       0.83591722
O        0.44635000       2.22653000       5.92251000      -0.57428715      -0.38611348       0.87149719
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.82445013 magmom=22.0026215 free_energy=-99.82758835 stress="-0.03960740372576032 -0.011504527185521144 0.009108553520593228 -0.011504527185521144 -0.06914903524474147 -0.026246670045030784 0.009108553520593228 -0.026246670045030784 -0.05342056858079951" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07713000       5.31393000       0.91920000       0.19967712       0.28449880       0.23962977
Cr       1.66371000       0.90150000       5.18605000       1.56227326      -1.92820485      -0.77203722
Cr       1.59747000       2.68679000       1.80670000       0.47872613       1.13210295       0.28166393
Cr       0.32560000       3.41799000       4.32575000       1.50845514       1.66668006       0.49086521
Cr      -0.61180000       6.22371000       5.85958000      -0.64266240       0.51430388       2.86388855
Cr       0.90663000      -0.78735000       2.92327000       0.20135082      -0.32659265       0.10309754
O        0.08554000       1.64957000       1.02036000       0.43466071       0.66943241      -0.54277437
O        1.86788000       4.55022000       5.23998000      -0.04844819      -2.81234985      -2.23623226
O        2.65024000       7.10541000       1.57185000      -0.28189338       0.70650443       0.62268975
O       -0.60742000      -0.76394000       4.33735000       0.75658879       0.79474608      -1.54046576
O        0.22624000       4.05895000       2.45137000      -0.07092038      -0.69695899      -0.31380104
O        2.02958000       2.23069000       3.70179000      -2.37634217      -1.16384770      -0.65207699
O        0.55393000       2.17989000       5.95139000      -1.72146545       1.15968542       1.45555288
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62594847 magmom=22.0012376 free_energy=-99.62986863 stress="-0.08376698876244146 0.004019538249649636 -0.00552685701753563 0.004019538249649636 -0.0656250575155066 -0.030783574775528268 -0.00552685701753563 -0.030783574775528268 -0.07365863639370365" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09191000       5.35745000       0.90575000       0.79592100      -1.87831596       0.93606522
Cr       1.70051000       0.84246000       5.16600000      -0.56276951       1.32324571       0.51711510
Cr       1.54533000       2.74002000       1.72470000       1.96804753       0.70987943       1.57953365
Cr       0.41514000       3.47522000       4.35337000      -0.12647271      -2.40619032      -1.13196632
Cr      -0.67067000       6.21453000       5.95148000      -0.85288085       0.52489098       0.46659824
Cr       0.89992000      -0.83255000       2.85254000       2.16936502       0.49143250       3.85973997
O        0.08924000       1.81540000       0.90068000      -0.23659085      -1.91384175      -0.21930858
O        1.92299000       4.40895000       5.18102000       0.13606819       1.47689318      -0.42474205
O        2.71528000       7.03173000       1.70941000      -2.55674869       1.39319109      -2.74715833
O       -0.63479000      -0.71981000       4.31609000       0.98947782      -1.44491063      -0.79561622
O        0.27509000       3.94879000       2.43896000      -1.27310957       1.08225463       0.40764510
O        1.95176000       2.09011000       3.75843000      -0.75419717       1.74235976      -1.53733696
O        1.55746000       4.16454000       0.16414000       0.30388978      -1.10088862      -0.91056882
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.90938942 magmom=21.9981123 free_energy=-99.91401952 stress="-0.07001715558300076 0.02329786018932277 0.021151047094345416 0.02329786018932277 -0.07044409996673447 -0.006548740103797675 0.021151047094345416 -0.006548740103797675 -0.07139782161649678" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12368000       5.32804000       0.93841000       0.27259568       0.68293258      -0.10244880
Cr       1.76268000       0.84686000       5.13794000      -0.06931102       1.25297492      -1.32458463
Cr       1.58948000       2.80803000       1.74474000       0.08598524      -0.39850404       0.02081136
Cr       0.49548000       3.43642000       4.31160000      -1.84410620       0.38783724       0.29949505
Cr       0.14359000       0.00579000       0.03052000       0.03419989      -1.55706763      -1.93188355
Cr       0.97917000      -0.87158000       2.96413000      -1.77452423      -0.21726371      -1.91409517
O        0.08210000       1.75061000       0.73074000       0.09218404       1.14819161       2.89467167
O        2.02874000       4.40316000       5.12924000      -0.43661073       0.84414315       0.28239378
O        2.51894000       7.08740000       1.50159000       0.01588599       0.62108998       1.24806401
O       -0.58337000      -0.81680000       4.16416000       1.00435592      -0.04030108       2.50596066
O        0.11885000       4.00649000       2.41588000       0.25641475      -0.32333939       0.63350573
O        1.68206000       2.15407000       3.65138000       1.56003603      -0.83186386      -0.82570249
O        1.51631000       4.16792000       0.23984000       0.80289465      -1.56882976      -1.78618762
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.18936495 magmom=21.9996322 free_energy=-100.19820427 stress="-0.04264244694563453 -0.003951799425732826 0.030549219183812974 -0.003951799425732826 -0.03693648833201099 0.0055301786238622416 0.030549219183812974 0.0055301786238622416 -0.048987083740374596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15181000       5.31260000       0.95997000       0.24581739       1.41694656      -0.96072784
Cr       1.84512000       0.90184000       5.04883000       0.02603780      -0.84927162       1.02064109
Cr       1.65052000       2.83582000       1.76579000      -1.07220139      -0.21850704      -1.83762231
Cr       0.47881000       3.41459000       4.26666000      -1.04702566       1.04708210       1.27580807
Cr       2.96711000      -0.00214000       0.03308000       0.59219008       1.35142001      -0.70732706
Cr       0.99255000      -0.92167000       3.02557000      -1.14530124      -0.06790872      -0.63621166
O        0.08513000       1.82876000       0.90398000       0.40567886       0.06903959      -0.30944343
O        2.07588000       4.51163000       5.21762000      -0.41051964      -1.94254659      -1.06965978
O        2.38592000       7.16215000       1.50989000       0.72589327      -1.01796328       1.32020744
O       -0.49096000      -0.91230000       4.32267000      -0.23804531       0.46706360       0.68033579
O       -0.00501000       4.07402000       2.44342000       1.41957314      -0.15159164       0.67554968
O        1.66045000       2.09506000       3.48971000       0.74574510      -0.27059872       1.01158407
O        1.64363000       4.03425000       0.03469000      -0.24784241       0.16683575      -0.46313406
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.7478222 magmom=21.9971709 free_energy=-99.75242286 stress="-0.05473860366044358 0.008330282620985802 0.03674503783521942 0.008330282620985802 -0.04289032662059926 0.011457450615422188 0.03674503783521942 0.011457450615422188 -0.060859895366162625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16848000       5.35549000       0.93690000       0.09055942      -0.81713260       0.25255127
Cr       1.95725000       0.92225000       5.00806000      -0.09129098      -1.37864075       1.92023279
Cr       1.66238000       2.84460000       1.71610000       0.03404521       0.67598882       0.69445912
Cr       0.39529000       3.46674000       4.28180000       1.04771964      -1.90378389      -0.42112157
Cr       1.67235000      -1.83509000       6.01873000      -0.00338395      -0.10311692       1.67236436
Cr       1.12721000       7.11850000       3.06495000      -1.12477058       0.09151288       1.15551998
O        0.15155000       1.92578000       0.96489000      -0.12814125      -1.63536056      -1.41308248
O        2.02403000       4.36970000       5.24743000      -1.23260151       1.38684392      -1.03567136
O        2.48584000       7.04670000       1.74360000       1.31883914       0.51626036      -0.94307277
O       -0.50849000      -0.89247000       4.55741000       0.63958387      -0.54285241      -2.18089209
O        0.12487000       4.12874000       2.46458000       0.45113321      -0.38559815      -0.20865478
O        1.82423000       1.97597000       3.49409000      -0.21581709       2.74491557      -1.22545586
O        0.59019000       2.07967000       5.78265000      -0.78587512       1.35096375       1.73282340
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.49250634 magmom=22.0019989 free_energy=-99.49895925 stress="-0.07288537739471676 -0.013973194203034523 -0.022181052905549926 -0.013973194203034523 -0.07134309694453382 -0.013058662109020834 -0.022181052905549926 -0.013058662109020834 -0.0891237151611294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16694000       5.37333000       0.92600000       0.23228434      -1.21421288      -1.21715805
Cr      -0.90287000       0.89790000       5.05375000      -1.07360289       0.56088091      -0.91743338
Cr       1.67585000       2.87320000       1.68984000       1.27805176      -0.66779238      -0.96496391
Cr       0.34905000       3.46062000       4.27597000       0.20239413      -0.81369149      -0.91006125
Cr       2.70128000       0.04568000       0.03992000       0.66362327      -1.03812774       0.15836483
Cr       1.04001000       7.05722000       3.15273000       4.03868494       0.16543124       1.27089458
O        0.17977000       1.80372000       0.74290000      -0.22270587       0.68508071       1.78492209
O        1.78037000       4.39038000       5.17784000       0.64467772       1.34508539      -0.02713627
O        2.81304000       6.97627000       1.86189000      -3.81363816       1.44624801      -2.64146779
O       -0.57165000      -0.88217000       4.43816000      -0.54105615      -1.31474051       0.27262005
O        0.36208000       4.11357000       2.37362000      -0.86238946      -0.03526112       0.49095040
O        1.96536000       2.23459000       3.48841000      -0.73918660      -0.19293407       0.83583254
O        0.52269000       2.07970000       5.73688000       0.19286298       1.07403393       1.86463616
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55697 magmom=21.999144 free_energy=-99.55853068 stress="-0.08059949445868234 -0.021886914098453433 -0.020197293038667713 -0.021886914098453433 -0.08194131566122027 -0.021273196898218025 -0.020197293038667713 -0.021273196898218025 -0.07912235597140477" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16044000       5.35442000       0.87653000       0.30268406       0.93262171      -1.09955188
Cr      -0.82309000       0.88797000       5.06173000      -0.37878630       0.53083163      -1.08001492
Cr       1.76353000       2.86434000       1.64384000       0.05867637       0.02537701       0.21932628
Cr       0.33685000       3.45109000       4.22965000       0.75136414       2.04736858       0.84291560
Cr       2.66526000      -0.00038000       0.11152000       0.84598572       1.05825041      -1.18379618
Cr       1.09185000       7.01071000       3.22821000      -1.89506559      -0.19063003      -4.48095132
O        0.12352000       1.81428000       0.73307000       0.95995499       0.07214039       1.69207973
O        1.65732000       4.58291000       5.14183000       0.97929861      -1.69444953      -0.66990660
O        2.69563000       7.07289000       1.69427000      -1.06392367      -0.51688886       2.31035948
O       -0.70693000      -0.94382000       4.35286000       1.94564176      -0.34823774       2.84574701
O        0.40192000       4.08217000       2.28321000      -1.13981534      -0.47993155       1.50204777
O        1.91883000       2.40885000       3.60528000      -1.25365503      -2.34072420      -0.79237546
O        0.42648000       2.15306000       5.96599000      -0.11235973       0.90427218      -0.10587952
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.84316098 magmom=21.9994125 free_energy=-99.84567605 stress="-0.06654238919474814 -0.0007072422386454536 0.03124006436007533 -0.0007072422386454536 -0.058588205127552945 -0.01726682656009956 0.03124006436007533 -0.01726682656009956 -0.04863573169048705" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14028000       5.37478000       0.78315000      -0.63680623       1.05298878       2.25498685
Cr      -0.78364000       0.88543000       5.01921000       0.26041593       0.39834918       1.53796824
Cr       1.84814000       2.84648000       1.63552000      -2.72511160       0.55149014       1.89425864
Cr       0.34632000       3.54520000       4.20488000      -0.99814835      -0.91959177       0.60096410
Cr       2.70315000      -0.01556000       0.14245000       0.26755439       0.94090082       0.13265407
Cr       1.09532000       6.97431000       3.11511000      -2.05318076       0.05692101       1.53704896
O        0.23024000       1.82868000       0.90531000       1.07274694      -0.71478801      -0.61556994
O        1.76746000       4.53679000       5.10998000       0.46584278      -0.16650577      -0.78565465
O        2.41595000       7.04054000       1.79481000       1.60083007      -0.23239306      -0.95327983
O       -0.66262000      -0.99402000       4.59990000       0.46937982      -0.48323307      -2.29164767
O        0.20693000       4.04913000       2.33222000       0.77763886       0.48207858       0.43288275
O        1.70769000       2.19675000       3.67699000       0.86922888       0.79785240      -1.38651533
O        1.49541000       4.23507000       0.15141000       0.62960927      -1.76406923      -2.35809619
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.69932808 magmom=21.9973823 free_energy=-99.70823854 stress="-0.05862396384432376 -0.006616309427051153 0.015841284768795948 -0.006616309427051153 -0.04281917448386225 -0.02702403623789041 0.015841284768795948 -0.02702403623789041 -0.050141270573457124" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07015000       5.41799000       0.79489000       0.99077062      -1.89586745       0.69414339
Cr      -0.75288000       0.86310000       5.01848000       0.43163007       0.46668763       1.29503604
Cr       1.81030000       2.82965000       1.73681000      -0.10207412       0.11644769       0.05916587
Cr       0.32184000       3.58892000       4.19883000       1.25078492      -2.64291372       0.66193997
Cr       2.78534000       0.04186000       0.15116000       0.30989815      -0.67538192      -0.41515879
Cr       0.98609000       6.95844000       3.07701000       0.61725814      -0.02678503       1.14880292
O        0.44401000       1.74915000       0.92968000      -1.39442355       0.50212682      -0.36454821
O        1.92885000       4.45491000       5.08253000      -1.88305114       2.12059185       0.09393977
O        2.46491000       6.89707000       1.78828000      -0.49470778       2.12439946      -0.44084695
O       -0.59372000      -1.03294000       4.49943000      -0.83374912       0.03474969      -0.81384232
O        0.12109000       4.12393000       2.37792000       1.09980174       0.22663214      -0.41672070
O        1.69799000       2.09326000       3.60504000       0.35786114       1.37633700      -0.53690099
O        1.51621000       4.31730000       0.03789000      -0.34999906      -1.72702415      -0.96501000
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.67453778 magmom=22.000125 free_energy=-99.67744505 stress="-0.05387406581110936 -0.02284260169876023 -0.012318430236577324 -0.02284260169876023 -0.04699659251824729 -0.0001745293785777354 -0.012318430236577324 -0.0001745293785777354 -0.09645205918860454" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00127000       5.35944000       0.83781000       0.68311603       0.44917466      -1.59729349
Cr      -0.71133000       0.82477000       5.06208000       0.04579075       1.14797244      -0.40909644
Cr       1.75751000       2.79311000       1.83968000       0.57176453       1.68542144      -3.50554716
Cr       0.34266000       3.50951000       4.22779000      -0.12597696       0.97045220       0.94904889
Cr       2.92512000       0.08147000       0.12694000       0.22354265      -1.06136546      -1.28998285
Cr       0.88418000       6.95123000       3.12073000       1.76417611       0.02073242      -2.61696186
O        0.37319000       1.80364000       0.85129000      -0.56258045       0.97703813       1.17887055
O        1.82216000       4.63244000       5.13648000      -0.06638015      -1.71184218      -1.14518271
O        2.61797000       7.06349000       1.64133000      -1.71357172       0.53610377       1.14149660
O       -0.77671000      -0.96921000       4.24193000      -0.77489807       0.17197552       3.10663559
O        0.23078000       4.21784000       2.33345000       0.29284232      -2.09956221       1.35003303
O        1.83621000       2.23833000       3.55376000       0.20189357      -0.43775545       2.07863001
O        0.39828000       2.34183000       5.81180000      -0.53971862      -0.64834528       0.75934984
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.40999555 magmom=21.9976404 free_energy=-99.41012087 stress="-0.07670877289960266 -0.04164753383848654 -0.03136314892356217 -0.04164753383848654 -0.07767623417689057 -0.014042900550356103 -0.03136314892356217 -0.014042900550356103 -0.09363453580735212" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.94589000       5.29855000       0.80335000       0.56530215       1.17668325       0.55894181
Cr      -0.68764000       0.82837000       5.09108000      -0.34220163       1.85744188      -0.74899349
Cr       1.74140000       2.81058000       1.79236000      -0.11705166       0.87212143       0.31852471
Cr       0.36782000       3.47442000       4.29618000       0.13351775       1.30315392      -0.13150296
Cr       0.08353000       0.07070000       0.04703000      -0.61728470      -0.74166055       0.98268935
Cr       0.85645000       6.96111000       3.05140000       0.02776591       0.55847410      -0.22496919
O        0.16102000       1.95471000       0.86988000       1.35850649      -1.77341055       0.39937667
O        1.71420000       4.56851000       5.13573000       1.42890704      -0.18171394       0.00944865
O        2.57523000       7.26463000       1.67786000      -1.54627889      -1.22036986      -0.20736300
O        1.96788000      -0.85603000       4.39824000       1.40238952      -1.52491680      -1.17731768
O        0.34874000       4.06953000       2.36354000      -0.79614089       0.45779312       0.28656765
O        1.98509000       2.33982000       3.75490000      -1.77337816      -1.47873121      -2.25480219
O        0.38788000       2.23348000       5.80415000       0.27594707       0.69513520       2.18939966
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.22576321 magmom=22.0032453 free_energy=-100.22972139 stress="-0.0610514162484526 -0.018334491871022564 -0.002727741138687823 -0.018334491871022564 -0.05715056114367688 0.0015062108937746398 -0.002727741138687823 0.0015062108937746398 -0.06819324132032673" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93192000       5.31850000       0.80811000       1.62086560       0.90891890       2.86408873
Cr      -0.71969000       0.90721000       5.08934000      -0.06911896      -0.69934639       0.44441109
Cr       1.72671000       2.85431000       1.74230000       0.28477480      -0.82456970       0.61437869
Cr       0.38306000       3.50554000       4.33207000       0.26923681      -1.34619605      -1.02385693
Cr       0.16010000       0.02980000       0.01337000      -0.85938886      -0.93030909       1.50004348
Cr       0.82579000       7.01796000       2.96286000       0.33051576       0.53047009       1.66053702
O        0.20377000       1.81752000       0.88276000       0.58162969       0.32737675       0.24099267
O        1.91154000       4.43535000       5.20614000      -0.19283294       1.29929691      -1.16189028
O        2.37875000       7.14813000       1.70284000      -0.42478349      -0.39775572      -1.70970511
O        2.05426000      -0.91954000       4.37410000       0.61682784       0.18076048      -1.62765362
O        0.28745000       4.01459000       2.40499000      -0.62546110       0.79774140       0.43697247
O        1.89610000       2.20792000       3.69848000      -0.25270621       0.98593395      -0.79783729
O        1.55381000       4.11529000       0.14615000      -1.27955893      -0.83232154      -1.44048093
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47058285 magmom=21.9990773 free_energy=-99.47346968 stress="-0.06151912242408375 0.0062306550603737285 0.036962344495097006 0.0062306550603737285 -0.06145127586547792 -0.007641198012168623 0.036962344495097006 -0.007641198012168623 -0.07654817192299403" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00337000       5.36858000       0.93264000       1.54269926      -1.71277511      -0.25362130
Cr      -0.79148000       0.94560000       5.08218000       0.13334020      -1.20101339       0.31396258
Cr       1.72348000       2.83758000       1.74925000       0.16447460      -0.51082410       0.60657300
Cr       0.41165000       3.48336000       4.28976000       0.82489268      -0.36827675       0.23377261
Cr       0.36324000       8.06533000       0.02952000      -0.25624654       0.36299903      -0.43985394
Cr       0.81977000       7.11159000       2.94890000       1.31491152      -0.09013358      -1.30728558
O        0.38065000       1.71385000       0.84503000      -0.95593257       1.41143933       0.31779200
O        2.10481000       4.48056000       5.24472000      -1.57707900      -0.56766383      -0.88457301
O        2.18468000       6.90248000       1.53351000      -0.27122343       2.49616532       0.32842446
O       -0.75692000      -0.94472000       4.13463000      -2.06296359       0.74690805       3.09271547
O        0.10496000       4.10714000       2.45614000       0.63607315      -0.33329687      -0.12451204
O        1.78185000       2.15967000       3.59050000       0.32935405       0.16286188       0.54146410
O        1.45920000       4.14509000       0.33733000       0.17769967      -0.39638997      -2.42485835
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.90554276 magmom=22.001278 free_energy=-99.91110365 stress="-0.03905140942498517 0.0006342171748159864 0.01985143146335443 0.0006342171748159864 -0.06328772028852214 -0.005342765659460059 0.01985143146335443 -0.005342765659460059 -0.05048128873557958" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11389000       5.33118000       1.04454000      -0.17384979       1.30037639      -2.14649694
Cr      -0.86639000       0.88928000       5.07164000       0.37018132       1.58748510       1.32629000
Cr       1.74402000       2.76803000       1.78280000       0.16841253       1.06125140      -1.16252913
Cr       0.47025000       3.43848000       4.24467000      -1.45564252       0.74696169       2.72066331
Cr       0.34918000       8.04321000       0.01252000      -0.36012168       0.36815496      -0.26522390
Cr       0.66805000      -0.89181000       2.92996000      -1.24612164       0.07550130       0.85049522
O        0.34368000       1.84300000       0.80598000      -0.95930714      -0.98695145       1.02036364
O        1.99710000       4.42705000       5.16517000      -0.34253867      -0.23193639      -0.56690887
O        2.05516000       7.02613000       1.41950000       1.02588364       0.51795579       0.51403745
O        2.12333000      -0.82175000       4.29783000       0.18290588      -1.44622815      -1.15385884
O        0.04042000       4.12524000       2.50246000       0.96963194      -1.12427192       0.30393352
O        1.79595000       2.19692000       3.65449000       1.03346340      -0.59538674      -0.81391615
O        1.40904000       4.20124000       0.12128000       0.78710271      -1.27291197      -0.62684931
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58108356 magmom=21.9997289 free_energy=-99.58112725 stress="-0.04766365676455139 -0.0213977801853592 0.011746806254483077 -0.0213977801853592 -0.061028005770785494 0.010809443481551021 0.011746806254483077 0.010809443481551021 -0.06688699950976092" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23514000       5.29331000       1.02959000      -0.49636924       1.31443165      -1.54421584
Cr       2.04478000       0.87050000       5.10701000       0.32388602       1.30626628       0.73721582
Cr       1.77342000       2.71339000       1.76831000      -1.78687248       1.54450992       1.07646954
Cr       0.45931000       3.41184000       4.31869000      -1.37700163      -0.36536642      -0.74993256
Cr      -0.84869000       6.18959000       5.98702000      -0.51276595      -0.39758486       0.42296451
Cr       0.66970000      -0.76517000       2.96761000      -2.29016045      -0.12355662      -0.61092082
O        0.12892000       1.84628000       0.85463000       1.90746407      -1.44577669      -0.10489316
O        1.85281000       4.36458000       5.09670000       1.87982937       1.48469566       1.14792873
O        2.08725000       7.31896000       1.41859000       0.86650907      -1.04693956       1.08719790
O        1.97893000      -0.86675000       4.34890000       1.52487828      -0.61546894      -1.51378228
O        0.16660000       4.01312000       2.47779000       0.89107691      -0.37690019      -0.63791491
O        2.00176000       2.16450000       3.68616000      -0.95095087       0.00459970      -1.65134463
O        0.36049000       2.31020000       5.87891000       0.02047690      -1.28290994       2.34122772
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.52132198 magmom=21.9992976 free_energy=-99.52753784 stress="-0.056738602798116676 0.0010299476278564357 0.025170352342217876 0.0010299476278564357 -0.05782639027883136 0.003149846324358499 0.025170352342217876 0.003149846324358499 -0.05309829486060118" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.32688000       5.29488000       0.92999000      -0.32938494       1.05348791       0.80453924
Cr       1.96993000       0.90344000       5.17393000       0.25039968      -1.97432150      -0.74814387
Cr       1.73445000       2.70420000       1.77892000       1.87380567      -1.62351070      -1.69885931
Cr       0.38503000       3.38584000       4.36708000       1.55265738       0.36864091      -1.55248714
Cr       2.04100000       6.19531000       5.95660000      -0.01085938       1.18770387       0.20583034
Cr       0.56403000      -0.63136000       2.99186000       0.49008979      -0.37790963      -1.69988670
O        0.18247000       1.65454000       0.84144000       0.56737565       1.90847366       0.56721447
O        1.98137000       4.46767000       5.23155000      -0.57748389      -2.37983743      -1.13354851
O        2.29674000       7.47198000       1.57906000      -0.32903884      -1.59124195       0.42398148
O        2.08164000      -0.99141000       4.17933000      -0.05826849       0.74126853       1.45007073
O        0.44433000       3.88083000       2.30818000      -2.23563386       1.55704305       1.89601250
O        2.07851000       2.09901000       3.58891000      -1.05087787       0.38593329       0.71114100
O        0.49171000       2.11702000       5.96770000      -0.14278090       0.74426997       0.77413576
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.42555657 magmom=21.9986547 free_energy=-99.43569075 stress="-0.06381539100161611 -0.008014800992157881 -0.0013839811548946553 -0.008014800992157881 -0.03439777712677007 0.01918566485176364 -0.0013839811548946553 0.01918566485176364 -0.1027594397912213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.38120000       5.31027000       0.88424000      -0.20989961      -0.44797935       2.51922321
Cr       1.93024000       0.85664000       5.19342000       0.44474977      -0.32017212      -1.02349726
Cr       1.76777000       2.65085000       1.74470000       0.96923731       1.10950071       0.60846066
Cr       0.39500000       3.39436000       4.30651000       1.45697035      -0.76153520      -0.89605700
Cr       1.94552000       6.23316000       5.94799000      -0.01036722      -0.70222091       0.29426634
Cr       0.51405000      -0.53918000       2.95175000       4.06646890      -0.57368135       1.88874442
O        0.32578000       1.71262000       0.80151000      -0.66099399      -0.49158985       1.46246592
O        2.01334000       4.32587000       5.25971000      -1.16215200       1.24544226      -1.53562449
O        2.42786000       7.38902000       1.72382000      -2.68508973      -1.05057492      -3.44202267
O        2.14821000      -0.91064000       4.26142000      -0.78842630       0.35744036       0.40021233
O        0.38543000       3.96681000       2.35900000      -0.51204979      -0.66966411       0.91060833
O        1.94995000       2.07139000       3.67200000      -0.49031697       0.86422565      -0.52682923
O        1.73774000       3.83047000       0.14828000      -0.41813071       1.44080883      -0.65995056
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47904172 magmom=22.0065831 free_energy=-99.47929514 stress="-0.045552707006520816 0.0012940520246542847 0.012351140462977852 0.0012940520246542847 -0.07096898744111296 -0.0177405749534702 0.012351140462977852 -0.0177405749534702 -0.07434340466816029" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.40746000       5.29367000       0.94350000      -0.38603330       0.74405063       0.28453202
Cr       1.94227000       0.81668000       5.16965000       0.03522791       4.34442163       2.57737944
Cr       1.86325000       2.64633000       1.75137000      -1.53121440       1.90421565       1.07343449
Cr       0.46830000       3.39301000       4.20969000      -2.09115304       0.10268954       2.71508910
Cr       1.86447000       6.22588000       5.95541000       0.03145334      -0.98161638      -0.11981377
Cr       0.63349000      -0.50218000       2.96188000      -0.64353474      -1.49207731      -0.93408405
O        0.29355000       1.72796000       0.91059000       0.50587522      -1.36547970       0.25971216
O        1.87035000       4.33422000       5.11894000       1.04739923       0.84821423       0.12510182
O        2.30044000       7.15692000       1.51595000       0.18670051      -0.31998792       1.19143245
O        2.03810000      -0.74452000       4.36922000       1.09145452      -3.44127747      -3.20057786
O        0.17746000       3.99827000       2.49677000       0.68121079      -0.11016645      -1.51306517
O        1.76262000       2.12970000       3.74175000       1.64723053      -0.93181711      -2.04957424
O        1.74814000       3.88924000       0.19315000      -0.57461657       0.69883064      -0.40956638
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65089868 magmom=22.0025262 free_energy=-99.65166517 stress="-0.04902580828496883 -0.003989102029717996 -0.0006252478390926725 -0.003989102029717996 -0.020100908658821443 -0.010217781970770348 -0.0006252478390926725 -0.010217781970770348 -0.05027805094283398" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.39155000       5.29605000       1.01766000      -0.16192961       2.35264447      -0.94903063
Cr       1.98211000       0.92343000       5.21988000       0.34888451      -1.35395468       0.13392030
Cr       1.88716000       2.72498000       1.82272000      -2.35048364      -0.83000352      -1.98279090
Cr       0.44991000       3.41328000       4.23605000      -0.90958863       0.13350325       0.93626815
Cr       1.78273000       6.15414000       5.96085000       0.09556943       0.44727842      -0.57351760
Cr       0.72942000      -0.55975000       2.92356000      -2.32014928      -0.97295977      -2.16312480
O        0.24564000       1.55072000       0.99868000       0.38375434       1.33407950      -0.18179049
O        1.89008000       4.48162000       5.01997000       0.59815743      -1.46775000      -0.52420600
O        2.23597000       6.86810000       1.46829000      -0.07964595       0.97403500       0.55564893
O        2.06680000      -0.83484000       4.13634000       1.89001639       0.44894841       2.84389464
O        0.12104000       4.00433000       2.38559000       1.89508995      -0.48927474       1.61781423
O        1.82910000       2.05577000       3.59250000       0.24615034       0.49542441       1.07303249
O        1.66019000       4.11027000       0.12998000       0.36417473      -1.07197075      -0.78611834
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.66722883 magmom=22.000636 free_energy=-99.67119132 stress="-0.05362376835651302 0.03322056220831855 0.037503537537576334 0.03322056220831855 -0.03551590009570061 -0.027857549567608823 0.037503537537576334 -0.027857549567608823 -0.032910581196517234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.33995000       5.36435000       1.02883000       0.96036732      -0.80350580      -1.36018033
Cr       2.04611000       0.96416000       5.27539000      -0.03952407      -1.89494959      -0.49129319
Cr       1.79310000       2.75951000       1.80998000       0.49091734      -1.18587762      -0.15874249
Cr       0.38606000       3.44196000       4.32117000       2.29305588      -1.87997975      -1.88444139
Cr       1.71171000       6.10027000       5.93586000       0.52580509       1.70228368      -0.55832242
Cr       0.73864000      -0.69924000       2.81975000      -0.70415234       0.09947257       2.13330684
O        0.22631000       1.57160000       0.97723000       0.02581097       1.02507475      -0.02763016
O        2.00049000       4.45397000       4.95375000      -1.94018938       0.74111792       0.98273366
O        2.18900000       6.76423000       1.52686000       0.26757603       1.97064742      -0.68791372
O       -0.69170000      -0.77316000       4.22373000      -0.90305512       0.15858591       0.64051512
O        0.38709000       3.97672000       2.39307000      -0.80117109      -0.33083273       0.61276660
O        1.98930000       2.04743000       3.64853000      -0.54095496       1.44934116      -0.09999367
O        0.48571000       2.40309000       5.99703000       0.36551432      -1.05137792       0.89919517
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.14731625 magmom=22.0007752 free_energy=-99.15366249 stress="-0.06575815073833338 0.00654399058997928 0.03506040271761779 0.00654399058997928 -0.09352362193700037 -0.04397253936012496 0.03506040271761779 -0.04397253936012496 -0.07603161163915544" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.30347000       5.37685000       0.95946000       0.39837420      -0.95177261      -0.62386107
Cr      -0.86802000       0.90597000       5.29396000      -0.60355999       3.84550802      -0.44577949
Cr       1.71788000       2.69997000       1.76660000       1.11915881       0.52070749       1.09246832
Cr       0.42731000       3.40607000       4.31622000       0.93203605       0.76628411      -0.04088305
Cr       1.68450000       6.15102000       5.88215000       0.58980678       2.63452033       0.12586196
Cr       0.70274000      -0.85790000       2.84212000      -0.40686508       0.88039999       2.15363803
O        0.17422000       1.80192000       0.87989000       0.24530340      -2.48402266       1.01426886
O        1.84895000       4.46402000       5.08985000       1.22354004      -0.44229374      -0.20639838
O        2.23403000       6.96801000       1.48976000       0.66359088       0.30860069       0.35793848
O       -0.61585000      -0.61106000       4.38980000      -0.34363877      -4.00770789      -2.54214314
O        0.53522000       3.99470000       2.46312000      -1.79542835       1.26578494      -0.32154013
O        2.03978000       2.24296000       3.82356000      -1.58817558      -1.33800171      -1.78670178
O        0.55996000       2.39266000       6.00827000      -0.43414239      -0.99800696       1.22313141
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65053713 magmom=22.0016813 free_energy=-99.65563463 stress="-0.062470918543314706 -0.006258778588962919 0.01706820015033389 -0.006258778588962919 -0.031436573556322865 -0.004154385018223829 0.01706820015033389 -0.004154385018223829 -0.08045515961007838" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26185000       5.32259000       0.85511000       0.05116700       1.53564523       1.88238078
Cr      -0.81575000       0.94479000       5.25600000      -0.41062962       0.07485218      -1.27322920
Cr       1.70224000       2.64581000       1.78611000      -0.07216434       2.08003350       0.67158748
Cr       0.51438000       3.41337000       4.28358000      -1.98301007       1.61920847       0.65526774
Cr       1.51651000      -1.78506000       5.83324000       0.30718270      -0.90768712       1.56487596
Cr       0.85028000       7.13786000       2.97532000       1.81662005       0.47993743      -1.74503071
O        0.16407000       1.75849000       0.86739000       0.41256342      -0.83226225       0.24196803
O        1.84159000       4.44631000       5.25406000       1.11690838      -0.04358931      -2.13485253
O        2.44257000       7.19273000       1.54398000      -0.77793639      -0.94466042       0.64566266
O       -0.73586000      -0.84353000       4.26119000      -1.11203505       0.42332129       0.79142442
O        0.36141000       4.17866000       2.44719000      -0.09956883      -1.58619587       0.59778459
O        1.90060000       2.25833000       3.75766000       1.24829916      -1.28545882      -0.54786920
O        1.74869000       4.13138000       0.22179000      -0.49739641      -0.61314430      -1.34997002
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56450238 magmom=22.0015167 free_energy=-99.56719334 stress="-0.060057630457716886 -0.017258207591491027 -0.026221570571303646 -0.017258207591491027 -0.013314631909525865 0.012437689535158647 -0.026221570571303646 0.012437689535158647 -0.09244461389409385" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20627000       5.31687000       0.85337000       0.36838150       1.45373285       1.41673086
Cr      -0.80914000       0.97207000       5.16109000      -0.01601029      -1.84641174       0.34800648
Cr       1.70290000       2.69700000       1.83410000       0.51850916       1.04765946      -1.32678657
Cr       0.50905000       3.49028000       4.27613000      -0.20642313      -0.69515021       0.03011288
Cr       1.57167000      -1.71492000       5.87981000      -0.30157455      -3.35771504       2.21611820
Cr       0.87583000       7.09437000       3.00705000      -0.49395906       0.40703429      -1.68766705
O        0.21448000       1.67278000       0.90063000       0.20619062       1.93440417       0.56754539
O        2.02543000       4.43561000       5.13189000      -0.48767696       0.50861670      -0.07704523
O        2.52619000       7.20409000       1.69425000      -1.60360815      -0.87222519      -2.00778802
O        2.03507000      -0.97424000       4.22715000       2.54929983       1.57787168       1.37031797
O        0.19536000       4.09068000       2.45377000       0.37086892      -1.00349843      -0.15632169
O        1.92691000       2.11051000       3.64262000       0.01573560       1.06462255       0.41764049
O        1.70090000       4.00998000       0.23085000      -0.91973347      -0.21894111      -1.11086372
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.18619403 magmom=22.0000181 free_energy=-100.18800701 stress="-0.05593937105713633 -0.017523795919566574 0.003395509046489265 -0.017523795919566574 -0.07785526254759341 -0.026286378863131146 0.003395509046489265 -0.026286378863131146 -0.05039387401601511" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14380000       5.34633000       0.91727000       0.91312354      -1.49059747      -1.11712658
Cr      -0.83251000       0.89910000       5.08050000      -0.03721878       0.84025409       1.80820597
Cr       1.73633000       2.78740000       1.81354000      -0.84117589      -0.82838120      -1.53599651
Cr       0.49256000       3.53387000       4.26426000       0.34916245      -2.08865399       0.37191719
Cr       2.79671000       0.04846000       0.02463000       0.37590635       0.34029339      -0.17230089
Cr       0.89794000       7.09140000       2.95314000      -0.09558966       0.65911177       1.23115309
O        0.22827000       1.86384000       0.92548000      -0.26943266      -1.71935533      -0.27892439
O        2.06765000       4.51819000       5.07129000      -1.18463486       0.22697098       0.62776628
O        2.40412000       7.01822000       1.59555000      -0.57577269       0.52177496       0.50365772
O        2.13402000      -0.81009000       4.37721000       0.15277549      -2.27756146      -1.78361331
O        0.14520000       3.88939000       2.38712000       1.68963205       2.67172683       0.59117779
O        1.98099000       2.14518000       3.66894000      -0.50237058       1.51496230      -0.66718308
O        1.56288000       3.95647000       0.04774000       0.02559524       1.62945514       0.42126672
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.28467021 magmom=22.0012974 free_energy=-100.28794025 stress="-0.056323134964322154 0.004163008911383062 0.028711931857444317 0.004163008911383062 -0.07472832454028529 -0.02851877008864665 0.028711931857444317 -0.02851877008864665 -0.05390850202699451" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10190000       5.30182000       0.91164000       0.92889907       0.05680841      -1.93368963
Cr      -0.88786000       0.86133000       5.07762000      -0.16878905       1.25470566      -0.22704538
Cr       1.74783000       2.83821000       1.71920000      -0.05576097       0.37675358       0.07879031
Cr       0.49059000       3.50602000       4.27278000      -1.30322422       0.56989774       0.88117573
Cr       2.90813000      -0.04368000       0.18407000       0.16971988       1.04037292      -1.57189457
Cr       0.91373000       7.13219000       2.95610000      -0.05609733      -0.20986067       1.07397987
O        0.17044000       1.82882000       0.84340000       0.60931156      -0.54311383       0.81309253
O        1.88338000       4.56271000       5.19056000       0.66152864      -1.22630077      -0.89103905
O        2.27253000       6.88898000       1.60251000       0.39769244       1.37978425       0.48608891
O       -0.68420000      -0.86073000       4.29067000      -1.10396914      -1.14172199       0.25856484
O        0.32624000       4.07150000       2.33037000      -0.26109808      -0.71021094       1.48941634
O        1.95351000       2.35652000       3.68483000      -0.09786037      -1.04947348      -1.10793443
O        0.33657000       2.23240000       5.93189000       0.27964758       0.20235911       0.65049454
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65985082 magmom=22.0023018 free_energy=-99.66918821 stress="-0.07331164899994028 -0.00301201200126762 0.012437937023478505 -0.00301201200126762 -0.04245062273224253 0.001416438831111422 0.012437937023478505 0.001416438831111422 -0.06894265633763018" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08585000       5.24671000       0.81326000      -0.05036035       1.39215190       2.41755050
Cr       2.03367000       0.87844000       5.06828000       0.25402470      -0.30412328      -0.97865741
Cr       1.75264000       2.86927000       1.64093000      -0.00416974       0.09041616       1.43015052
Cr       0.41931000       3.50679000       4.30187000      -0.79313708       0.49940857      -1.23850121
Cr       0.22127000       8.02167000       0.23499000      -0.24483636      -0.46370267      -2.15030745
Cr       0.73617000      -0.92997000       3.03400000      -0.46754929      -0.90172274      -0.51699011
O        0.18341000       1.73389000       0.79923000       0.29639907       1.75247700       0.74948756
O        1.82829000       4.42705000       5.26126000       0.95487651       1.21673355      -1.46885116
O        2.33333000       6.95345000       1.70063000       0.67110997       0.30488372      -0.84602950
O       -0.74248000      -1.03324000       4.24120000      -0.40287752       0.84033755       2.53250164
O        0.47180000       4.22720000       2.42245000      -0.40314782      -0.90700033      -0.11125844
O        1.90269000       2.38549000       3.59570000       0.08228934      -1.35971527       0.26906864
O        0.36398000       2.39604000       5.94507000       0.10737857      -2.16014417      -0.08816357
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62893705 magmom=21.9978855 free_energy=-99.63217896 stress="-0.0621557127579826 -0.0012230261474053836 -0.001964147946703081 -0.0012230261474053836 -0.06422505026856526 0.00456253219220611 -0.001964147946703081 0.00456253219220611 -0.0761811879510856" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06001000       5.27382000       0.80955000       1.04504531       1.16197598       1.87196244
Cr       1.97455000       0.85969000       4.99294000       0.30981887       1.13506331       1.32452075
Cr       1.75699000       2.87205000       1.65367000       0.19641531       0.43985992       1.19794160
Cr       0.28855000       3.52658000       4.24494000       2.04047609      -1.89351212      -0.48006841
Cr       0.32327000       7.99889000       0.15152000      -0.07300078       1.26910906       0.51189264
Cr       0.73074000      -0.94451000       3.13838000      -0.03091518      -0.89916159      -0.26258948
O        0.25961000       1.92722000       0.84029000      -0.03208672      -1.12564889       0.00788056
O        1.95155000       4.45122000       5.15817000      -1.66910921       0.49573574      -0.31968354
O        2.62784000       7.06672000       1.70464000      -1.60443513      -0.29427679       0.73256867
O        2.05432000      -1.00343000       4.55628000       1.58935523       0.13982096      -2.57362448
O        0.51644000       4.20088000       2.46333000      -1.06848825      -0.15927038      -0.56806980
O        1.85877000       2.18581000       3.54577000      -0.08720684       0.83746616      -0.28086179
O        1.58192000       4.14293000       0.00736000      -0.61586870      -1.10716137      -1.16186916
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.87728198 magmom=22.0010605 free_energy=-98.88125698 stress="-0.0633329704807037 -0.006027327183926913 -0.02870282575153153 -0.006027327183926913 -0.0889539284244685 0.002597221171484966 -0.02870282575153153 0.002597221171484966 -0.09968044710966739" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05642000       5.36667000       0.89774000       0.01775255      -0.33135212      -1.68308646
Cr       1.92691000       0.88053000       4.95853000      -0.16266706       2.40422617       3.58182549
Cr       1.77296000       2.85639000       1.74415000       0.27126510       0.54548542      -1.99813887
Cr       0.22923000       3.46194000       4.13492000       1.31941845      -0.51494575       2.17980711
Cr       0.40706000       8.04518000       0.05218000      -0.25501710       0.85110334       2.40527627
Cr       0.90936000       7.09063000       3.26402000       0.45906690      -0.54927491      -1.05022353
O        0.29987000       1.99186000       0.84909000      -0.46609459      -2.40238615       0.06525902
O        1.88047000       4.55025000       5.05844000      -0.76925316      -1.21096799      -0.21932426
O        2.83023000       7.06244000       1.76812000      -2.18001231       0.81848680      -1.16569153
O        2.09156000      -0.87403000       4.51493000       2.33065032      -1.93161303      -1.50669943
O        0.35105000       4.15179000       2.34620000      -0.46891955      -0.77748979       1.02966650
O        1.80727000       2.09929000       3.53815000      -0.28996691       1.78421665      -0.88169306
O        1.67222000       3.94222000       0.00426000       0.19377736       1.31451138      -0.75697726
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.69910591 magmom=22.0033168 free_energy=-98.69917544 stress="-0.11805184946810578 -0.011610838685632133 0.026672793258374825 -0.011610838685632133 -0.0893934548167887 -0.037433727425165535 0.026672793258374825 -0.037433727425165535 -0.08603102056948952" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05837000       5.45593000       0.90781000      -0.28437857      -2.29822495      -2.00648639
Cr       1.89859000       0.99050000       5.08252000       0.73061411      -2.13629157      -0.59105008
Cr       1.78794000       2.83708000       1.72452000      -2.26439598      -1.39313545      -3.05044525
Cr       0.23880000       3.38028000       4.13594000       0.14626036       1.42721947       2.26375666
Cr       0.25483000       0.02967000       0.04601000      -0.55948974      -2.20702603      -0.25106769
Cr       0.93673000       7.00373000       3.31093000       4.57375969      -0.62853860      -5.84154658
O        0.24129000       1.71488000       0.83145000       0.16908284       2.71314186       1.25678778
O        1.71657000       4.44295000       5.03854000       0.71199646       0.34677160       0.00364404
O        2.80281000       7.07812000       1.69782000      -0.99697127       1.97922719       0.95351790
O       -0.63322000      -0.88092000       4.30045000      -3.31521695       0.99240755       4.96889508
O        0.09628000       4.02762000       2.29173000       2.13175643       1.04328848       0.83110068
O        1.73426000       2.26424000       3.52556000       0.12565604      -1.17448094       0.26342080
O        0.62241000       2.10411000       5.90822000      -1.16867342       1.33564138       1.19947306
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.74159436 magmom=22.0003776 free_energy=-99.74199643 stress="-0.06271498371997715 -0.01509231829130433 0.005383763492749626 -0.01509231829130433 -0.06991219305401564 -0.007672781284164399 0.005383763492749626 -0.007672781284164399 -0.06778753640517483" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02957000       5.46641000       0.83976000      -0.13880745      -1.48818208       1.12678326
Cr       1.91569000       1.00914000       5.19857000      -0.51055074      -0.75658571      -1.62415332
Cr       1.70097000       2.76038000       1.58212000      -0.25075784       2.10225311       3.29532455
Cr       0.24986000       3.39116000       4.24331000       0.11657859       0.19351022      -1.36163863
Cr       0.23357000       0.02802000       0.05588000      -0.86241837      -1.70799276       1.33221235
Cr       1.10315000       6.92726000       3.13061000       0.28745503       1.25017838       0.55806760
O        0.21642000       1.79403000       0.89577000      -0.20713719      -0.26846669      -0.03229596
O        1.75582000       4.36335000       5.09945000       0.41965598       2.32962843      -0.57812500
O        2.72352000       7.20506000       1.73030000      -0.67150435      -0.34397610       0.52022505
O       -0.69174000      -0.78974000       4.57672000       1.40666365      -0.42770043      -3.63158244
O        0.15663000       4.04911000       2.29169000       0.37574566      -0.20737181       0.25977546
O        1.72424000       2.24163000       3.59530000       0.33346681      -0.54729128      -0.85974727
O        0.50843000       2.26070000       5.91627000      -0.29838977      -0.12800329       0.99515435
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.83442625 magmom=21.9987904 free_energy=-99.84278777 stress="-0.0690066931040316 -0.006022052896504231 0.008394340764555988 -0.006022052896504231 -0.04925221065864651 -0.012657222753552742 0.008394340764555988 -0.012657222753552742 -0.07008310241347394" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01514000       5.41498000       0.83271000       0.56136664      -0.56598808       0.89439017
Cr       1.92940000       0.97365000       5.20870000      -0.37715256      -0.34295067      -1.68582544
Cr       1.62154000       2.77338000       1.63764000       0.80208157       1.40160844       2.32497952
Cr       0.26428000       3.43863000       4.25991000       0.84385282      -0.04742272      -1.05259937
Cr       0.15636000      -0.01905000       0.09018000      -0.17937861       1.61791457      -0.42694031
Cr       1.25198000       6.93205000       2.99474000      -1.86619665       0.90388073       2.51265103
O        0.14637000       1.84610000       0.85539000      -0.20612427      -1.30848231       0.46227601
O        1.90335000       4.56732000       5.15632000      -0.88899184      -0.93981570      -1.17062948
O        2.68762000       7.11457000       1.79515000       0.78993674       0.21303232      -1.96284359
O       -0.65580000      -0.76687000       4.41326000       1.30045583      -1.23796385       0.06853994
O        0.27648000       4.08850000       2.29472000      -0.91157290      -0.50454676       1.14821471
O        1.79082000       2.12705000       3.62861000      -0.22272368       1.48546688      -0.43429071
O        1.47086000       4.23151000       0.02563000       0.35444690      -0.67473284      -0.67792248
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.99357389 magmom=21.9974839 free_energy=-100.00374199 stress="-0.054129005063559596 0.003595156654529059 0.00017167661569213183 0.003595156654529059 -0.07937001003453914 -0.02833851551730245 0.00017167661569213183 -0.02833851551730245 -0.07610309183585362" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.94894000       5.33338000       0.86563000       0.57379476      -1.52210168      -1.51072177
Cr       1.92971000       0.91042000       5.12640000      -0.15084677      -0.34616915      -0.28499406
Cr       1.60558000       2.83684000       1.81901000       0.35262841      -0.84129139      -2.06384380
Cr       0.31501000       3.49187000       4.21648000       0.35434704       0.23821795       2.45633228
Cr       0.05876000       0.01673000       0.07857000       0.29926561      -0.64464298      -1.57403009
Cr       1.30341000       7.00287000       2.99295000      -0.95365564       0.20073185      -0.29444904
O        0.03322000       1.74769000       0.81471000       0.34239863       1.97161789       1.66118356
O        1.91474000       4.57909000       5.10552000      -0.83840130      -1.22834530      -0.59336326
O        2.81719000       6.95566000       1.64236000      -0.71405507       2.61594033       1.41141882
O       -0.48573000      -0.87425000       4.24673000       0.89511279       0.31672160       1.98080113
O        0.20206000       4.07155000       2.40704000      -0.57483292       0.37943524      -0.44596154
O        1.83036000       2.24847000       3.67675000      -0.26282848      -0.06624620      -0.15628708
O        1.42556000       4.22494000       0.03171000       0.67707292      -1.07386816      -0.58608514
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.11222573 magmom=22.0057073 free_energy=-100.11261622 stress="-0.07321963667240651 -0.01745173926332704 0.001817212273729366 -0.01745173926332704 -0.052205785176315564 -0.014776765540479918 0.001817212273729366 -0.014776765540479918 -0.06030114057073127" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.95052000       5.22494000       0.83704000       0.03881505       1.31667699      -0.35785270
Cr       1.93012000       0.83433000       5.03374000      -0.88258300       1.17321283       1.15328908
Cr       1.60844000       2.83519000       1.89025000      -1.00757539       0.31624346      -2.18306871
Cr       0.37030000       3.55700000       4.28387000      -1.88452628      -1.84954316       0.06395513
Cr       2.95875000       0.04614000       0.00065000       0.28141325      -0.32442861      -0.01361800
Cr       1.31222000       7.09257000       3.00239000       1.35061299      -0.15316585      -0.71136694
O        0.01781000       1.91032000       0.95212000       0.92557516      -1.46182478      -0.43650416
O        1.80315000       4.39688000       5.07783000       1.13393248       2.71627459       1.46542227
O       -0.07503000       7.05314000       1.63371000      -0.99777381       0.28513559       0.50549287
O       -0.30792000      -0.89388000       4.35250000      -0.63411443      -0.18948107       0.64870683
O        0.02032000       4.10176000       2.40310000       1.04995251      -0.13519154       0.92007860
O        1.82166000       2.34442000       3.72753000       0.02915198      -1.17289843      -0.89254410
O        0.38694000       2.18613000       5.96625000       0.59711950      -0.52101002      -0.16199017
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57043458 magmom=21.997056 free_energy=-99.57764705 stress="-0.04843286882519464 -0.01316451771682225 0.01402768660347687 -0.01316451771682225 -0.05794365480982058 0.007822351023785454 0.01402768660347687 0.007822351023785454 -0.06175110989985556" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01510000       5.18647000       0.79144000      -0.15167931       1.39970037       1.67865826
Cr       1.92216000       0.83258000       5.01330000      -0.32910543       0.09337945       1.53673499
Cr       1.56980000       2.81319000       1.82826000       0.90441832       0.48389285      -0.59796629
Cr       0.33869000       3.55497000       4.37816000      -0.14230160      -0.52586502      -1.11913486
Cr       1.73402000      -1.80890000       5.96037000       0.25911718       1.64476313       2.74806636
Cr       1.18739000      -0.91512000       2.97113000      -0.44019682      -0.38771125       1.00015230
O        0.14519000       1.87388000       0.96890000      -1.02793626      -1.30088946      -0.60868327
O        1.84584000       4.55839000       5.32805000      -0.16242108      -2.20949317      -2.74352034
O       -0.13106000       7.14693000       1.74093000       0.15168385      -0.49637985      -1.06638040
O       -0.31758000      -0.86926000       4.50830000       0.87372312      -0.38549119      -1.89706598
O       -0.00267000       4.14016000       2.41383000       0.76375124      -0.87298519       0.56181962
O        1.80776000       2.23320000       3.69042000      -0.15575361       0.95965098      -0.54183970
O        0.52729000       1.90537000       5.87675000      -0.54329960       1.59742836       1.04915930
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.01971945 magmom=21.9997838 free_energy=-99.03141409 stress="-0.06742552420098327 0.0046873665690179075 0.027909580497855687 0.0046873665690179075 -0.07510704804187841 -0.017843956414571094 0.027909580497855687 -0.017843956414571094 -0.07451492759917322" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00902000       5.26617000       0.85580000      -0.19397842       0.32930731       1.89640058
Cr       1.93966000       0.87754000       5.08587000       0.58505434      -1.67487782      -1.14595870
Cr       1.56056000       2.79300000       1.70290000       1.39499360      -1.28221293       1.58950892
Cr       0.25983000       3.51380000       4.41423000       1.94854928      -1.34085894      -2.68906729
Cr       2.81125000       0.10451000       0.00942000       0.06350130      -4.18646210      -2.09448533
Cr       1.25283000      -0.81974000       2.95574000      -1.93077021      -0.49354008       1.13475255
O        0.14915000       1.61054000       0.83938000       0.07729338       4.98468165       2.48674265
O        1.92244000       4.46922000       5.28217000      -2.05976452       0.59303048      -0.57188457
O        2.84093000       7.14158000       1.71636000       1.10360339      -0.48562009      -1.12812574
O       -0.32981000      -0.88388000       4.37650000       0.50215582       0.32595880      -0.04939351
O        0.16654000       4.00675000       2.43333000      -0.46326645       0.25132637      -1.28461957
O        1.75239000       2.20807000       3.60153000      -0.15069249       0.13921468       0.84063459
O        0.52777000       1.74933000       5.94171000      -0.87667904       2.84005266       1.01549542
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.76866978 magmom=21.9831359 free_energy=-98.77037382 stress="-0.10022781364130613 0.002293351976491405 -0.003992548759578055 0.002293351976491405 -0.10566899915532708 -0.02146618586459404 -0.003992548759578055 -0.02146618586459404 -0.08636538443614769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03019000       5.40440000       1.04375000      -0.17481402      -4.46700764      -2.58143175
Cr       2.00354000       0.86651000       5.13284000      -1.20594809       0.36295303      -0.73647251
Cr       1.64225000       2.70983000       1.65952000      -0.51867624       1.58330244       2.30091217
Cr       0.24663000       3.40748000       4.29686000      -1.06830530      -1.33700502      -1.19141859
Cr       2.76616000       0.02553000       0.05663000       0.42756739       0.59720200      -3.25815704
Cr       1.23439000      -0.74302000       2.96406000      -0.35390203      -0.35790253      -1.51830496
O        0.05887000       1.84384000       0.87845000       1.60220048      -3.45635441      -1.03216154
O        1.67708000       4.31047000       5.10508000       0.98108012       2.33474875       1.50981991
O        0.02312000       7.10506000       1.58164000      -0.75534789       2.53107386       3.10997436
O       -0.31879000      -0.80539000       4.16501000       0.66608097      -0.23265617       2.62248504
O        0.26403000       3.86495000       2.25860000      -1.54775011       1.36424950       2.43083606
O        1.67392000       2.19410000       3.68441000       0.75158010      -0.55223475      -1.10593748
O        1.51659000       3.85901000       0.07410000       1.19623461       1.62963094      -0.55014366
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56048699 magmom=21.997636 free_energy=-99.5666756 stress="-0.05281387457629291 -0.021905411709525306 -0.009873863158795133 -0.021905411709525306 -0.06330183378868588 0.006172723226395491 -0.009873863158795133 0.006172723226395491 -0.08006779375294204" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04598000       5.38561000       1.09713000      -0.16090348      -0.28192348      -2.36721397
Cr       2.01920000       0.88294000       5.14777000      -0.90256696       0.92940684       0.45686586
Cr       1.69384000       2.69252000       1.73870000      -0.89988014       0.20882097      -1.43296555
Cr       0.21850000       3.31141000       4.17352000      -0.07424654       1.17281889       3.45513446
Cr       1.82101000       6.18443000       6.00754000       0.55835496       1.13914543      -1.52239981
Cr       1.21511000      -0.71461000       2.92909000       1.28088593       0.23321564       2.27727945
O        0.14860000       1.71330000       0.75951000       0.20631289       0.22554678       1.69121799
O        1.57900000       4.45316000       5.18554000       0.74286120      -1.17635684      -0.82630045
O       -0.00154000       7.26197000       1.75833000      -1.82643806      -0.66408994      -1.60148921
O       -0.29747000      -0.66592000       4.28721000       0.39808214      -1.42589230       0.31004082
O        0.11075000       3.92995000       2.36497000       0.61784735      -0.15910174       0.41345834
O        1.73062000       2.08100000       3.65357000      -0.21681088       0.34609068      -1.01888445
O        1.48039000       4.14444000       0.00489000       0.27650158      -0.54768092       0.16525651
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.1618043 magmom=21.9978027 free_energy=-100.16567524 stress="-0.03039308792665164 -0.02584242087450138 0.01071524298078186 -0.02584242087450138 -0.0464493343017579 0.006220104844011465 0.01071524298078186 0.006220104844011465 -0.05751067332638487" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04461000       5.35038000       1.02620000       0.11249351       0.61704563      -0.84373640
Cr       2.00324000       0.93029000       5.19111000      -0.78397283      -0.47104055       0.01561279
Cr       1.68895000       2.69905000       1.74387000      -0.27877106       0.13900742      -1.14330996
Cr       0.19039000       3.32067000       4.24397000       0.58779374       0.80301687       1.04946465
Cr       1.87176000       6.17181000       5.90070000       0.71197255       1.38932833      -0.02626106
Cr       1.22782000      -0.69408000       2.99160000      -1.78486932      -0.08231373       0.37798393
O        0.23947000       1.65204000       0.81411000      -0.64988422       1.29303289       1.11844305
O        1.69609000       4.39949000       5.17601000       0.12418475      -1.12270123      -1.13016433
O        2.78326000       7.24006000       1.68989000       1.04048883      -0.61130747      -0.41170389
O       -0.30991000      -0.69151000       4.38616000       0.26971662      -1.17859563      -0.34077058
O        0.06339000       3.98297000       2.43520000       0.77111056      -0.37973234      -0.38413283
O        1.76922000       2.03113000       3.54284000      -0.56491554       0.48375119       0.89914432
O        0.30828000       2.32659000       5.98002000       0.44465242      -0.87949138       0.81943031
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55533659 magmom=22.0008704 free_energy=-99.55981715 stress="-0.09065648880051366 -0.0009262115866220984 0.019504874440369815 -0.0009262115866220984 -0.06648366005166964 -0.018025552829237738 0.019504874440369815 -0.018025552829237738 -0.05583073473218915" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02942000       5.33173000       0.89884000       0.55037845      -1.17488744       0.75470063
Cr       1.96288000       0.95546000       5.25496000      -0.87804098      -1.31023423      -1.26910690
Cr       1.67622000       2.71315000       1.70706000      -0.57451108       2.09057401       2.50835250
Cr       0.21801000       3.38365000       4.36313000       2.28230829      -2.55350502      -3.80754198
Cr       1.98442000       6.21442000       5.80820000      -0.01829585      -0.62606253       1.94669223
Cr       1.15781000      -0.69073000       3.07142000      -1.01354193      -0.76594196      -2.79005434
O        0.16084000       1.82632000       0.94685000       0.09659718      -2.55146793      -1.23647523
O        1.82188000       4.24913000       5.09205000      -2.00558158       3.41144475       1.02202469
O        2.74153000       7.06366000       1.54627000      -0.15118072       2.33627716       1.48139999
O       -0.39100000      -0.83242000       4.36491000       0.65431810       0.39958669       0.31453706
O        0.15772000       3.99665000       2.34413000       0.05280274      -0.58021790       1.32436305
O        1.72105000       2.06600000       3.65692000       0.01233153       0.78550646      -0.62395402
O        1.47844000       4.01105000       0.03083000       0.99241586       0.53892795       0.37506232
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.82167171 magmom=21.9998714 free_energy=-99.83279323 stress="-0.07238082567457223 0.007380051678756839 0.004796370805962019 0.007380051678756839 -0.08272823374105746 -0.015249070391378414 0.004796370805962019 -0.015249070391378414 -0.07921694478766421" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01511000       5.27636000       0.79859000       0.10868218       1.27783192       1.77347434
Cr       1.88768000       0.90989000       5.26641000      -0.16103417      -0.89728988      -1.43366584
Cr       1.64333000       2.80531000       1.80723000       0.62302622      -2.07141446      -0.42040025
Cr       0.34467000       3.38800000       4.30021000      -1.98168798       1.81127336       0.52321676
Cr      -0.85008000       6.22329000       5.83616000      -0.13746131       0.84807927       2.58627606
Cr       1.01204000      -0.75567000       3.00918000      -0.07401904      -0.59739714      -1.61712911
O        0.04890000       1.69257000       0.83323000       0.74703783       0.43843674       1.91524246
O        1.73406000       4.54012000       5.17600000       0.31258845      -2.79652266      -1.93377582
O        2.78039000       7.08320000       1.63413000      -0.30193368       0.27837382      -0.03925692
O       -0.52896000      -0.76668000       4.30992000       0.91415841       0.42673540       0.08568016
O        0.25075000       3.95471000       2.36905000      -1.15988978       0.85053052       0.63109822
O        1.70786000       2.21521000       3.79491000       1.48082511      -0.67345064      -1.52370312
O        1.65459000       3.85787000       0.14368000      -0.37029225       1.10481375      -0.54705696
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.76534618 magmom=21.9990199 free_energy=-99.77093081 stress="-0.06782284700655644 -0.005821088286348312 -0.015145161017194143 -0.005821088286348312 -0.06916238693750887 -0.039548201407633474 -0.015145161017194143 -0.039548201407633474 -0.08157157561988561" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00869000       5.29065000       0.78905000      -0.00685427       0.52642585       1.03100434
Cr       1.82858000       0.83635000       5.22197000      -0.40582808       1.44891096       0.02484728
Cr       1.62933000       2.80561000       1.90141000       0.57226812      -1.15859874      -2.47276210
Cr       0.37879000       3.47536000       4.24516000      -0.90688237      -0.10689171       1.62797158
Cr      -0.72397000       6.23593000       5.98384000      -0.53647270      -0.61186343      -0.57263653
Cr       0.88921000      -0.85745000       2.88332000       2.35278869       0.52233266       2.58979829
O        0.09346000       1.64239000       0.89535000       0.39249982       1.86049357       1.91183583
O        1.76631000       4.50393000       5.09000000       1.20575285      -0.02228698      -0.05251707
O        2.74164000       7.10282000       1.66882000      -2.05966709      -0.41256390      -2.75439864
O       -0.61264000      -0.62782000       4.24287000       1.08807069      -2.54242186      -0.33508906
O        0.17014000       4.03681000       2.42950000       0.04411727       0.34624761      -0.56838654
O        1.91052000       2.25212000       3.76207000      -0.83101734      -0.54805801      -0.30310400
O        1.71507000       3.86412000       0.14968000      -0.90877559       0.69827399      -0.12656337
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.71150931 magmom=21.9916197 free_energy=-99.71270675 stress="-0.06638658781382713 -0.003932010614943558 0.024165834732170374 -0.003932010614943558 -0.04718356243536568 -0.031484570355802814 0.024165834732170374 -0.031484570355802814 -0.04753256810848603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00743000       5.33959000       0.82799000       1.10455881      -2.58861379      -0.61761265
Cr       1.80354000       0.84461000       5.18839000      -0.07938932       0.33737661      -0.12048455
Cr       1.64841000       2.74443000       1.87063000       0.93132262       2.50135497      -0.09630345
Cr       0.35675000       3.56518000       4.26615000       1.99494856      -2.69367371      -1.02377610
Cr       0.28119000       0.00559000       0.06862000      -0.30790930       0.37777372      -1.38186786
Cr       1.06722000       7.16977000       2.86800000      -0.14734930       0.01668410       0.18239030
O        0.20874000       1.83576000       1.11076000      -0.96292511      -2.46055662      -1.63204004
O        1.98540000       4.41512000       5.08395000      -1.73869638       2.44595513       0.96833943
O        2.50912000       7.01510000       1.41066000      -0.66187628       2.43457854       1.97380057
O       -0.61700000      -0.81176000       4.17710000       0.21364704      -0.32816263       1.21145480
O        0.10338000       4.14837000       2.37721000       0.59235220      -0.89731903       1.07772337
O        1.98529000       2.16103000       3.71229000      -0.94850688       0.69871552      -0.40547647
O        1.58744000       3.93915000       0.08289000       0.00982334       0.15588720      -0.13614736
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.99624074 magmom=21.9985624 free_energy=-100.0021799 stress="-0.028732381419355687 -0.014747484012219585 0.02753798515545035 -0.014747484012219585 -0.027175138892152787 -0.0077032462462455625 0.02753798515545035 -0.0077032462462455625 -0.05128991761156025" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02992000       5.29103000       0.84777000       0.40213317       1.36556967      -0.01218132
Cr       1.81353000       0.89494000       5.14969000       0.09965439      -1.44423934      -0.24492129
Cr       1.70841000       2.78058000       1.81722000      -0.59028534       0.09027339      -0.70019899
Cr       0.40977000       3.54269000       4.25941000      -0.17045110      -0.16075102       1.45543278
Cr       0.27477000       0.04028000       0.08913000      -0.41768261      -0.63565953      -0.47675114
Cr       1.05233000       7.09868000       2.89902000      -1.50742212       0.11572377       1.41556124
O        0.19581000       1.71192000       0.99402000       0.04991054       2.02838431       0.24818599
O        2.01924000       4.61394000       5.26768000      -0.35175388      -2.62157996      -2.25830549
O        2.32269000       7.12371000       1.48653000       1.34449578      -0.28092349       0.17129011
O       -0.65130000      -1.00785000       4.26182000       0.21481684       1.41120306       0.23118283
O        0.14776000       4.09882000       2.39005000       0.53743184      -0.70281681       0.22456499
O        1.84652000       2.17634000       3.67548000      -0.07534453       1.04499714      -0.35659343
O        0.33088000       2.19334000       5.99094000       0.46449703      -0.21018117       0.30273373
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97270932 magmom=21.9939741 free_energy=-99.97353638 stress="-0.06534674259428565 0.016694923245505894 0.02894866073307266 0.016694923245505894 -0.0674686870702339 -0.000604260071849377 0.02894866073307266 -0.000604260071849377 -0.071629798431771" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07195000       5.26457000       0.86326000       0.25428844       1.80227952       1.17039225
Cr       1.86295000       0.91284000       5.07500000       0.00013121       0.06204599      -1.06319848
Cr       1.76276000       2.83735000       1.72286000      -0.80399973      -0.93594467      -0.25357680
Cr       0.46888000       3.49813000       4.31067000      -2.68083388       1.35267324       0.59082618
Cr       0.21405000       0.03371000       0.06594000      -0.84684892      -1.41398818       0.83999977
Cr       0.95858000       7.01190000       3.04369000      -0.64371915       0.56999904       0.13090848
O        0.14984000       1.84510000       0.74542000       0.82941679       0.62132915       1.70589115
O        1.95583000       4.47254000       5.23382000      -0.05540898       0.25999828      -0.94714776
O        2.38056000       7.24714000       1.71573000       0.96793463      -0.93415257      -0.85679735
O       -0.73599000      -0.95513000       4.37806000       0.35736017       0.45169108      -0.75643444
O        0.29859000       3.93695000       2.36300000      -0.51802027       1.46017624       0.18608407
O        1.67908000       2.33097000       3.64678000       2.72598036      -2.10222564      -1.16637147
O        0.31984000       2.32420000       5.92145000       0.41371932      -1.19388149       0.41942441
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.4110345 magmom=22.000151 free_energy=-99.41132768 stress="-0.09620600948666645 0.00445314621832235 -0.00758697391547907 0.00445314621832235 -0.07510435824479608 0.0009043846734428645 -0.00758697391547907 0.0009043846734428645 -0.08722818373808093" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12400000       5.31888000       0.92018000       0.35677606       1.08752625       0.29195766
Cr       1.93281000       0.93613000       4.94448000      -0.02785130       1.70302199       0.83696159
Cr       1.77495000       2.84161000       1.62285000      -0.11847321       1.27775826       1.34108030
Cr       0.41145000       3.48648000       4.34354000      -0.10055680      -1.85534968      -2.67065721
Cr       0.28177000       8.07014000       0.05825000      -0.21718777       0.80996050       0.83887095
Cr       0.83679000       6.96194000       3.21853000       2.39627444       0.20503076      -0.99780216
O        0.24809000       2.06911000       0.69589000       0.20195320      -3.38124959       0.61857716
O        1.90751000       4.35501000       5.15901000       0.04298530       2.59093711       0.46474224
O        2.64470000       7.16621000       1.81972000      -2.10742439      -0.41887710      -2.18384599
O        2.16038000      -0.83221000       4.39297000       0.10892782      -2.26964952       0.79883191
O        0.35067000       4.02502000       2.31737000      -0.52848238      -0.00647468       1.86022836
O        1.88541000       2.23177000       3.55380000      -0.13671612       0.93971933      -0.80337907
O        0.39440000       2.32820000       5.97962000       0.12977516      -0.68235362      -0.39556574
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.23503494 magmom=22.0011238 free_energy=-99.23930393 stress="-0.04698675167436322 -0.016440835309934388 -0.008485301578805811 -0.016440835309934388 -0.0979496556014157 0.0013638279398365818 -0.008485301578805811 0.0013638279398365818 -0.07631675152577536" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17248000       5.39372000       0.95992000       1.29827956      -2.03751284      -1.84990456
Cr       2.00166000       0.99023000       4.87140000       0.22926085      -1.19215601       2.82020250
Cr       1.78226000       2.86717000       1.60402000       0.26107785       0.20172527       0.31690884
Cr       0.35185000       3.43271000       4.24707000       1.20501473       1.37367203       0.85716900
Cr       3.15098000       8.06800000       0.08348000       0.13833489       0.87234927       1.59912323
Cr       0.82382000       6.96036000       3.29439000       0.40778212      -0.33353010      -2.50341136
O        0.31910000       1.81398000       0.74122000      -0.53112522       1.28355694       0.74186514
O        1.89903000       4.54501000       5.21475000      -0.23332946      -2.36141715      -1.75233360
O        2.67838000       6.94783000       1.69730000      -2.24135517       2.93470498       2.05993480
O        2.08788000      -0.94435000       4.47215000       0.85104271       0.29329455      -0.55622013
O        0.27569000       4.16052000       2.44844000       0.34365702      -0.95012635      -0.50204381
O        2.05076000       2.21441000       3.44821000      -1.38218909       0.37219796      -0.25415146
O        1.64813000       4.15117000       0.02868000      -0.34645080      -0.45675856      -0.97713859
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.42090519 magmom=21.9981714 free_energy=-100.42105076 stress="-0.04836010850121625 -0.014072713380839267 -0.00459741199838634 -0.014072713380839267 -0.04183873569852057 0.007889015858743955 -0.00459741199838634 0.007889015858743955 -0.04508688657804188" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24227000       5.38528000       0.89369000       0.46730146       0.80559948       0.05458505
Cr       2.08150000       0.95944000       4.92024000       0.02374397      -0.54681098       1.76434076
Cr       1.80694000       2.87369000       1.61770000      -0.76471945       0.61108247       0.61077126
Cr       0.36170000       3.45083000       4.18545000       0.76165448       0.09711240       1.03907519
Cr       2.86469000       0.00113000       0.16517000      -0.09032606      -0.82839949      -0.09808913
Cr       0.84409000       6.96424000       3.23990000       0.22199152      -0.08961322      -1.84153418
O        0.23350000       1.79367000       0.87816000       0.64683887       1.05792313      -0.34204101
O        1.88347000       4.39944000       5.12387000      -0.01577114       0.86675769      -0.30365595
O        2.44787000       7.02605000       1.81687000      -0.63462319      -0.01884628      -0.44959959
O        2.11255000      -0.98085000       4.46261000       0.61698265       0.16969913       0.56202612
O        0.25856000       4.15823000       2.40419000       0.41544847      -0.86357968      -0.42209694
O        1.92853000       2.24640000       3.45673000      -0.57489182      -0.16789406       0.48068804
O        1.73280000       4.17209000       0.03224000      -1.07362976      -1.09303060      -1.05446962
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55641758 magmom=21.9971457 free_energy=-99.55656721 stress="-0.08828800225493841 0.01178656598457338 0.0362986476677965 0.01178656598457338 -0.05846603428355307 -0.022474973653042084 0.0362986476677965 -0.022474973653042084 -0.05520340548087469" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.31287000       5.36434000       0.77468000      -0.42410483       0.62889479       0.90220682
Cr      -0.82200000       0.86330000       5.05306000      -0.06561081       1.52755782       0.56114250
Cr       1.79163000       2.88407000       1.68521000      -0.79884161       0.51280428       0.24484030
Cr       0.41040000       3.48912000       4.16556000      -1.15490211      -0.67923293       0.56538387
Cr       2.76303000       0.02622000       0.25473000       0.22590846       0.14923988      -1.21729394
Cr       0.86296000       6.98452000       3.10149000      -1.78855720       0.15137094       2.50991923
O        0.22263000       1.93516000       0.91295000       0.84536812      -2.14006440      -0.66098365
O        1.89641000       4.33771000       5.06002000      -0.01197342       2.79078810       0.12600893
O        2.21307000       7.11004000       1.88343000       2.74785666      -0.31000596      -3.35442127
O       -0.79083000      -0.94685000       4.47705000      -0.53526102      -1.48584071       0.08051536
O        0.31725000       4.05760000       2.20344000      -0.22830189       0.31712292       2.54510002
O        1.70219000       2.23090000       3.61927000       1.91701812      -0.57823870      -1.67363691
O        0.55292000       2.30469000       5.99981000      -0.72859848      -0.88439603      -0.62878126
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57314066 magmom=22.0058489 free_energy=-99.57593814 stress="-0.03430506587504439 -0.0173133145246804 0.01848864897005493 -0.0173133145246804 -0.05679669875257738 0.002167346973435502 0.01848864897005493 0.002167346973435502 -0.06707194013750023" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.33084000       5.34999000       0.67484000      -0.98997200       1.36880119       1.77953492
Cr      -0.75782000       0.79637000       5.20071000      -0.26770467       0.98386749      -2.83116813
Cr       1.74505000       2.89116000       1.77655000       1.18766792      -1.22445026      -1.40405421
Cr       0.41573000       3.50503000       4.17641000      -0.10355094      -0.11938306       1.71662967
Cr       2.68022000       0.08123000       0.25290000       0.66011709      -0.12464832      -3.53554585
Cr       0.82373000       7.03942000       3.06065000       0.80422153      -0.09699405       0.27762244
O        0.33590000       1.76858000       0.82563000      -0.07706396       1.14810897       3.36249203
O        1.92779000       4.66929000       5.11078000      -0.20312312      -2.16181189      -1.39169047
O        2.37964000       7.02049000       1.57770000      -0.98395229      -1.84565226       2.96127107
O       -0.81105000      -1.01612000       4.46527000      -0.68018001       0.30804024      -1.19490098
O        0.31136000       4.05800000       2.30681000      -0.49100779       0.74771609       0.21098844
O        1.80355000       2.14876000       3.60916000       0.52624717       0.87923468      -0.24951637
O        0.43014000       2.21248000       5.91183000       0.61830107       0.13717118       0.29833745
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61198157 magmom=21.9989268 free_energy=-99.6142693 stress="-0.05477525305929118 -0.024287192163976432 -0.013702788453521292 -0.024287192163976432 -0.030719336065099075 -0.0367069278733043 -0.013702788453521292 -0.0367069278733043 -0.050763895611826426" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27615000       5.37223000       0.65335000       0.58683074      -1.24990443       1.65877459
Cr      -0.73539000       0.75434000       5.22110000       0.03647011       1.51118637      -1.02425960
Cr       1.76989000       2.83802000       1.81634000       0.95092589       1.47112045      -0.04380927
Cr       0.41724000       3.51664000       4.25483000       0.53999271      -0.13090980      -0.54002569
Cr       2.64917000       0.11386000       0.08412000       0.33774979      -1.83663973       0.13768816
Cr       0.81138000       7.09768000       3.05673000       0.14554707      -0.89505747      -1.92127609
O        0.35835000       1.72128000       1.09516000      -0.90835397      -0.00817340      -0.72874662
O        1.91641000       4.64578000       5.06456000      -0.18289551      -1.06189919      -0.88691857
O        2.50945000       6.75197000       1.63122000      -2.21578520       3.09704219       0.47533582
O        2.04906000      -0.92838000       4.27261000       0.51525703       0.17297063       1.98321067
O        0.21661000       4.19170000       2.39676000       0.76505845      -1.18327892      -0.47534234
O        2.04432000       2.20648000       3.61188000      -0.99545048       0.12898266       0.79056075
O        0.43258000       2.17657000       5.91560000       0.42465337      -0.01543936       0.57480820
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.29365227 magmom=21.9770244 free_energy=-99.29524231 stress="-0.09597480611296161 -0.032798030746299105 -0.017551921782480176 -0.032798030746299105 -0.06538566574370026 -0.06148451611459191 -0.017551921782480176 -0.06148451611459191 -0.052392689713625866" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19988000       5.33915000       0.73341000       0.81075498       0.06554722       2.00747014
Cr      -0.73783000       0.78141000       5.18112000       0.92187202       4.53538589       1.98963112
Cr       1.84648000       2.83056000       1.86103000      -1.56322090       1.34080350      -0.04438537
Cr       0.44610000       3.51316000       4.28417000       0.12367977      -1.38133766      -1.21991713
Cr       1.52399000      -1.81403000       5.92375000       0.18501037      -0.90957700       1.60767579
Cr       0.81229000       7.11624000       2.98378000      -0.21546791       0.04353902      -0.09521547
O        0.21234000       1.74118000       1.20557000       1.32858976      -1.43192470      -2.08054278
O        1.88682000       4.40688000       5.02581000       1.00766781       3.30482801       1.00131181
O        2.37155000       6.88411000       1.75084000      -0.83098605       0.68748991      -2.36820532
O        2.00280000      -0.74750000       4.30081000       0.31096124      -3.20605506      -0.53156168
O        0.25370000       4.15343000       2.33821000       0.83079959      -0.70123085       1.21425516
O        2.08168000       2.30527000       3.76272000      -1.64698054      -1.32621295      -0.98622758
O        1.70384000       4.09585000       0.04116000      -1.26268014      -1.02125533      -0.49428869
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75559447 magmom=22.0013803 free_energy=-99.76212833 stress="-0.05361430577928953 0.0006687509766963141 0.019806479296992124 0.0006687509766963141 -0.0628960762825781 -0.014341513002809135 0.019806479296992124 -0.014341513002809135 -0.061195954139589955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13176000       5.29016000       0.90279000       1.37961844       2.20374736       0.33398183
Cr      -0.74604000       0.95197000       5.20328000      -0.03964577      -1.88719809       0.89665562
Cr       1.87191000       2.84108000       1.88859000      -0.24236273      -2.01664336      -2.19974072
Cr       0.47847000       3.46754000       4.25381000      -0.73136878       0.76770033       2.48884387
Cr       1.77441000       6.19291000       5.82802000      -0.54609379       2.71618156       3.24928461
Cr       0.79236000       7.13954000       2.90779000      -0.79814472       0.69700092       0.45860425
O        0.19778000       1.66706000       0.95729000       0.70574838       1.19137379       0.12943146
O        1.97878000       4.51955000       5.20065000       0.21634713      -3.42735873      -2.11437258
O        2.19067000       7.09752000       1.54261000       1.02214524      -0.94787212      -0.26244944
O        2.07005000      -0.86676000       4.30323000       0.37031703       0.72601435      -1.35851099
O        0.40712000       4.02239000       2.39578000      -0.71123792       0.65470542       0.70169447
O        1.87533000       2.22544000       3.79630000       0.94824550       0.15760928      -1.53620670
O        1.73186000       4.12036000       0.17393000      -1.57356803      -0.83526072      -0.78721570
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.10290739 magmom=21.9978847 free_energy=-100.10316998 stress="-0.05425724103787897 -0.0009100803875617257 0.025531354582851745 -0.0009100803875617257 -0.04428370901740723 0.01028091095960149 0.025531354582851745 0.01028091095960149 -0.06753159386134017" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11492000       5.31973000       1.03807000       1.11267646       0.50721798      -0.90662968
Cr      -0.78569000       1.00682000       5.24191000      -0.09601256      -1.07497440      -2.74510730
Cr       1.87817000       2.75562000       1.81192000      -0.38510878       0.22411100      -0.82136442
Cr       0.47882000       3.44844000       4.32695000       0.46519643      -1.53001868       0.29579427
Cr       1.82617000       6.21837000       5.87486000       0.59072883       0.30737538      -0.64968928
Cr       0.75377000       7.20007000       2.86947000       1.15763291       0.73414586      -0.71651752
O        0.28807000       1.77336000       0.72641000       0.12087520      -0.73085478       2.82153166
O        2.03919000       4.31208000       5.17001000      -1.24624391       1.42479934       0.31058894
O        2.23278000       7.11028000       1.39500000      -0.31991648      -0.17040582       1.49515409
O        2.13416000      -0.87763000       4.13318000      -1.21267810       0.27788628       1.53886217
O        0.41140000       3.99887000       2.50763000      -0.52204640      -0.07872245      -0.43634613
O        1.85560000       2.16001000       3.65663000       0.68108366       0.13329143       0.11480428
O        1.60973000       4.09458000       0.19957000      -0.34618725      -0.02385113      -0.30108108
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.34898247 magmom=21.9993222 free_energy=-100.34962396 stress="-0.06152495196239978 -0.01787549279410881 -0.006556952400637602 -0.01787549279410881 -0.047777281060173114 -0.005565996597520693 -0.006556952400637602 -0.005565996597520693 -0.040493193994807795" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13033000       5.34446000       1.10058000       0.67764174      -0.47652916      -1.26449561
Cr      -0.85324000       0.95681000       5.14410000       0.41445310      -0.55123161      -0.21772011
Cr       1.87086000       2.66802000       1.70354000      -0.57858583       2.74166567       2.02347616
Cr       0.48625000       3.36606000       4.39870000      -1.02719382      -0.41482126      -1.52022760
Cr       1.72309000      -1.82525000       5.90867000      -0.06463214      -0.96296999      -0.32943118
Cr       0.57528000      -0.79579000       2.83122000       0.30194366       0.45978424       1.06694238
O        0.35806000       1.79835000       0.84549000      -0.19610116      -1.54898275      -0.38147873
O        1.90944000       4.30780000       5.23323000       0.88509950       1.44171065      -0.08755021
O        2.32133000       7.07898000       1.53239000      -0.92050757       1.15509119      -0.47798561
O        2.01850000      -0.76352000       4.14648000       0.37896818      -0.44803881       1.18268168
O        0.28269000       3.99599000       2.49049000       0.45838669      -1.00671654       0.47720892
O        1.98347000       2.12408000       3.60500000      -0.34293948       0.43947593       0.23193390
O        1.52622000       4.14152000       0.18352000       0.01346714      -0.82843756      -0.70335400
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.8454975 magmom=21.9992461 free_energy=-98.8486711 stress="-0.05852678621235815 -0.039690589073910924 -0.01987248711325098 -0.039690589073910924 -0.11827340444861896 -0.02463775244098232 -0.01987248711325098 -0.02463775244098232 -0.06665610709428223" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15239000       5.32040000       1.08154000      -0.06008071       1.26636192      -0.33832016
Cr       2.06707000       0.85955000       4.99322000       1.00122526       2.56335179       4.83982621
Cr       1.83673000       2.68511000       1.68925000      -0.69668252       0.78547327       0.85532997
Cr       0.45952000       3.26917000       4.38131000       0.28548911       3.19870511       0.17911050
Cr       1.83193000      -1.80743000       5.91668000      -0.69870236      -1.19734582       1.06242585
Cr       0.62362000      -0.64784000       2.87015000      -0.37862599      -0.41371712       1.02557886
O        0.33915000       1.60726000       0.93913000       0.08293238       1.77901282       0.01641629
O        1.85176000       4.52640000       5.36082000       0.38651840      -3.02443461      -2.22464740
O        2.36177000       7.15612000       1.69115000      -0.63348809      -0.06819087      -1.55291449
O        1.92574000      -0.73300000       4.29822000       0.96233458      -3.32560810      -2.22491590
O        0.20105000       3.89313000       2.44056000       1.25453913      -0.09314140       0.46450386
O        2.05108000       2.15270000       3.68903000      -1.53131086       0.22824151      -1.64362237
O        1.50833000       4.19544000       0.12030000       0.02585167      -1.69870850      -0.45877123
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.0226101 magmom=22.0004039 free_energy=-100.02261387 stress="-0.05543105968907171 0.0005354701777957688 0.007997129295022602 0.0005354701777957688 -0.035098879511748775 0.004029462517544683 0.007997129295022602 0.004029462517544683 -0.03500151990234309" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15713000       5.32347000       1.00120000       0.14641961       0.77948815       0.54096438
Cr       2.02694000       0.81015000       5.00860000       0.56139397      -0.14922399       2.38277588
Cr       1.76244000       2.74645000       1.74386000       0.50391376      -0.52916041      -0.68182516
Cr       0.42499000       3.34033000       4.34413000      -0.66515444       0.71380278       0.21600628
Cr      -0.88076000       6.22595000       5.96210000      -0.76167819      -1.67544131       1.02638308
Cr       0.66019000      -0.49705000       2.99433000      -0.67091693      -1.89628256      -1.30465222
O        0.25969000       1.67199000       0.94524000       0.15937703       0.92459107      -0.67430039
O        1.92321000       4.33426000       5.21646000       0.02484843       0.50582820      -0.52558148
O        2.37809000       7.23720000       1.65837000       0.11897827      -0.06708921      -0.89368622
O        2.06834000      -1.11493000       4.19893000       1.02515771       1.69995709       0.16349899
O        0.33009000       3.83095000       2.37899000      -0.80424858       1.51817340       1.09464807
O        1.84929000       2.18884000       3.67195000       0.48245031      -0.65623280      -0.86635990
O        1.50899000       4.09685000       0.07256000      -0.12054096      -1.16841042      -0.47787130
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.23778522 magmom=21.996256 free_energy=-99.2377891 stress="-0.05973267171519072 -0.0065687215275585685 0.03939524994346991 -0.0065687215275585685 -0.011261613754537693 0.02957232148746631 0.03939524994346991 0.02957232148746631 -0.06696087640851438" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16009000       5.33596000       0.92375000       0.20278985      -0.11744673       0.76736483
Cr       2.01478000       0.75254000       5.11840000       0.18088182       1.25818370      -0.93065181
Cr       1.70746000       2.77801000       1.77205000       0.24488327       0.83548074      -1.15209712
Cr       0.38429000       3.44261000       4.28154000       0.56205135      -2.44457265      -0.57480653
Cr       0.30871000       7.95800000       0.00955000       0.62025951       1.68463881      -2.06672609
Cr       0.67013000      -0.45408000       3.07215000       1.54172757      -1.64175836      -2.24947190
O        0.18960000       1.85791000       0.81237000       0.24457600      -2.25875014       1.67790266
O        1.94723000       4.24341000       5.11761000      -1.25196949       2.26321101       0.95162878
O        2.47768000       7.29179000       1.53354000      -0.98941058      -0.89485882       1.72793906
O       -0.65634000      -1.23243000       4.14771000      -1.43536362       1.12066062       1.66791343
O        0.33665000       4.04769000       2.42782000      -0.82574714      -0.40094406       0.44362709
O        1.70596000       2.09571000       3.60083000       0.88088109      -0.19746124      -0.11762768
O        1.49861000       3.93112000       0.03016000       0.02444037       0.79361710      -0.14499471
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.7020765 magmom=19.0782141 free_energy=-96.71386679 stress="-0.14288214731637658 -0.01560394279596768 0.0057084873610458815 -0.01560394279596768 -0.12675936425697718 0.02656084901473055 0.0057084873610458815 0.02656084901473055 -0.19930202117826334" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16309000       5.32616000       0.89191000      -0.05260891       0.74806958       0.16764714
Cr       2.01641000       0.76246000       5.17739000      -0.35189774       0.76054998      -0.87078459
Cr       1.68150000       2.82632000       1.74458000      -0.16739495      -0.23112780       0.37941531
Cr       0.36648000       3.42295000       4.20046000      -0.79904109      -0.39866704       1.49591412
Cr      -0.79174000       6.07744000       6.01755000      -0.06512416       2.20346116       0.74717690
Cr       0.73626000      -0.53795000       3.04753000       1.11692310      -1.37040680      -0.99785154
O        0.15925000       1.68170000       0.85400000       0.34451022       0.97093999       1.15491114
O        1.80182000       4.47213000       5.21904000       0.76406187      -1.82026352      -1.49615721
O        2.53473000       7.22134000       1.65514000      -0.31005855      -0.43175065       0.05493452
O       -0.65252000      -0.99996000       4.33791000      -0.54132001       0.97834581       0.20395536
O        0.15069000       4.20248000       2.46128000       0.14882980      -1.49063596      -2.15573462
O        1.76088000       1.98356000       3.55972000      -0.10321822       0.43723419       0.10804859
O        0.35810000       2.05693000       5.99569000       0.01633864      -0.35574895       1.20852488
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.72728214 magmom=22.0018607 free_energy=-99.7318194 stress="-0.056224739070914805 -0.026845506813427095 -0.012213887548945066 -0.026845506813427095 -0.0724354877067496 -0.04175353575974487 -0.012213887548945066 -0.04175353575974487 -0.0503242095741858" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14365000       5.34772000       0.88324000       0.08742536       0.21680820      -0.02050089
Cr       2.00052000       0.85542000       5.21127000      -1.06092556       3.43885562       1.52592991
Cr       1.64988000       2.83533000       1.70216000      -0.42432715      -1.37165745       0.50116012
Cr       0.31148000       3.36105000       4.20398000      -0.16043514      -0.45641444       0.36295754
Cr      -0.77732000       6.18595000       6.00967000      -0.94653456      -0.52761271       0.47223455
Cr       0.85503000      -0.70790000       2.98349000       0.16876594      -0.13465317       1.95522318
O        0.18986000       1.62479000       1.07351000      -0.12508704       1.06179176      -0.68763522
O        1.78841000       4.35488000       5.09159000       0.68246962       1.06583448      -0.03697487
O        2.59462000       7.03804000       1.83246000      -0.63570235       0.03869965      -2.77361332
O       -0.75965000      -0.69606000       4.45541000       1.44414163      -4.12804795      -2.60948619
O        0.01861000       4.04767000       2.32982000       1.61677689      -0.16238019       0.93749234
O        1.86566000       2.09449000       3.58859000      -0.70326493       0.49327838      -0.04276556
O        0.37892000       2.15374000       5.98966000       0.05669730       0.46549782       0.41597841
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.88869017 magmom=21.9987874 free_energy=-99.8914635 stress="-0.10417807351143193 -0.006961875023760177 -0.002679916654791821 -0.006961875023760177 -0.08517806233613467 -0.048108168362557595 -0.002679916654791821 -0.048108168362557595 -0.054453150880729675" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10338000       5.35679000       0.86402000       1.12829358      -1.96143413      -0.66197002
Cr       1.94754000       1.03611000       5.27263000      -0.58855990      -2.57999310      -1.30101178
Cr       1.61976000       2.76955000       1.71415000       1.19734763       0.38097638       1.16505123
Cr       0.27279000       3.32099000       4.22675000       1.80281577       1.62285216      -0.08084234
Cr      -1.02726000      -1.82239000       6.01570000      -0.47378097      -1.36917195      -0.31370363
Cr       0.94903000      -0.87578000       2.99602000      -1.09954466      -0.35234409      -0.26988098
O        0.17969000       1.74447000       1.03918000      -0.71793893      -0.90086413      -1.45668658
O        1.90369000       4.35439000       5.05088000      -0.95854590       1.70012550       0.53084027
O        2.66242000       6.91530000       1.68347000      -0.86979771       3.34721458       0.26071920
O       -0.67446000      -0.78550000       4.30010000       1.44536109       0.55733306       1.62875922
O        0.16010000       3.92114000       2.27344000      -0.07299662       0.90583633       1.31885132
O        1.83403000       2.20566000       3.67201000      -0.94604329      -1.25239552      -1.03348275
O        1.56382000       4.09712000       0.00952000       0.15338991      -0.09813509       0.21335684
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05244155 magmom=22.0015334 free_energy=-100.06409982 stress="-0.052740325138315745 0.008280130940480144 0.017174692598035946 0.008280130940480144 -0.05274137795607509 -0.0005489032536006408 0.017174692598035946 -0.0005489032536006408 -0.0834912524832668" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07405000       5.29978000       0.82229000       0.72927274       1.62222413       1.30732074
Cr       1.88112000       1.05965000       5.25705000       0.01238439      -2.11441365      -1.88145754
Cr       1.64771000       2.69510000       1.78572000       0.05052346       0.38856765      -0.82496581
Cr       0.31289000       3.39389000       4.23984000      -0.12951521       1.30247968       0.70904230
Cr      -1.10716000      -1.80219000       5.99780000       0.24441589      -0.56987953      -0.94670379
Cr       1.18328000       7.07049000       3.01633000       0.48119148       0.80355794      -0.37434957
O        0.07766000       1.78699000       0.75411000       0.51309024       0.56080182       2.62071536
O        1.90306000       4.53374000       5.16416000      -0.30629047      -1.59966980      -1.41682880
O        2.71722000       7.12925000       1.58005000      -0.49800255      -0.65253715       1.38844560
O       -0.48079000      -0.73737000       4.34024000      -0.28081593      -0.07300061       0.27076116
O        0.28438000       4.00711000       2.37703000      -0.80085879       0.02855510       0.01050140
O        1.69758000       2.11707000       3.66905000       0.74808288       0.78220253      -0.35282442
O        1.64627000       4.16417000       0.04723000      -0.76347813      -0.47888812      -0.50965665
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.31908514 magmom=21.9996478 free_energy=-100.32464242 stress="-0.05480529027202742 0.008049902702712063 0.014612016931260916 0.008049902702712063 -0.02624185782901171 -0.005407412133921959 0.014612016931260916 -0.005407412133921959 -0.07088262821067375" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06836000       5.32995000       0.84786000       0.23249125       0.32461157       1.23387342
Cr       1.82898000       0.95825000       5.13998000      -0.46504804       0.19523445      -0.16458555
Cr       1.67912000       2.64544000       1.82202000      -1.03861255       2.43297622      -0.70227855
Cr       0.35068000       3.55060000       4.28069000      -0.23298319      -1.85246561      -0.04447069
Cr       1.81305000      -1.81739000       5.94378000       0.21281500       0.44067946       0.90144234
Cr       1.24299000       6.98023000       3.01859000       0.43553226       1.19697804       0.38432822
O        0.07907000       1.86714000       0.83082000       1.06664148      -1.54706325       0.50556176
O        1.85630000       4.47211000       5.13175000      -0.06235416       0.83265029      -0.29800148
O        2.76861000       7.17663000       1.71877000      -0.34968489      -0.52821536      -0.91172775
O       -0.42301000      -0.70617000       4.38416000       0.06818629      -1.38394160      -0.07513729
O        0.23696000       4.09061000       2.43809000      -0.19367571      -0.50887060      -0.46235071
O        1.71043000       2.16818000       3.64884000       0.48703684       0.89976649       0.11702405
O        0.46312000       2.29813000       6.01649000      -0.16034459      -0.50234011      -0.48367775
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57465244 magmom=22.0065164 free_energy=-99.57502655 stress="-0.06292766662620372 -0.018305556265922514 -0.005103587927726176 -0.018305556265922514 -0.06281420344265705 -0.03566681592287032 -0.005103587927726176 -0.03566681592287032 -0.06792260588327767" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07070000       5.39599000       0.95052000       0.51433548      -3.65501680      -2.84109898
Cr       1.77293000       0.84775000       4.97707000      -0.43177421       1.84870948       1.63942599
Cr       1.66853000       2.71166000       1.81505000       0.45922955       1.89426272      -0.62520220
Cr       0.36605000       3.65894000       4.30739000      -0.63731663      -2.87558907      -0.64682957
Cr       1.75630000      -1.82122000       5.93126000       0.28349082       0.20332520       2.31160267
Cr       1.34398000       6.96192000       3.03215000      -1.55054377       0.28508770      -0.12372010
O        0.22549000       1.70765000       1.03023000      -0.99696019      -0.31607324      -0.85762663
O        1.83991000       4.51845000       5.15160000       0.20477375       1.04247775       0.29361674
O        2.82546000       6.96375000       1.79306000      -0.49604714       3.24966586      -0.32884472
O       -0.50202000      -0.88036000       4.35866000       1.75833591      -0.10282450       0.58960507
O        0.12134000       4.10284000       2.35952000       0.60875160      -0.77858973       0.83452076
O        1.85490000       2.39146000       3.70772000      -0.38336917      -0.51372764      -0.64710885
O        0.34164000       2.21194000       5.89642000       0.66709400      -0.28170772       0.40165981
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.06077329 magmom=22.0004647 free_energy=-99.06083139 stress="-0.04896574915743522 -0.0380517602232634 -0.005497810263641066 -0.0380517602232634 -0.0684653866096409 -0.017430027119017616 -0.005497810263641066 -0.017430027119017616 -0.06292291450967602" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08688000       5.31298000       0.95494000       0.15479737       0.87218054      -2.68750044
Cr       1.72003000       0.83575000       4.86997000      -0.21237611       0.29654269       1.22017663
Cr       1.66626000       2.86373000       1.75944000      -0.22979683      -2.33276604      -1.24801493
Cr       0.35020000       3.64488000       4.30063000       0.46574343       0.04979996       0.96417798
Cr       2.88945000       0.06824000       0.03483000       0.13448307       0.27595035       0.96074072
Cr       1.39022000       6.96332000       3.02895000      -1.79099077       0.01548229      -0.19652231
O        0.23270000       1.54062000       1.11121000      -0.19292004       3.43610130       1.23329677
O        1.87318000       4.64259000       5.28491000      -0.42384178      -3.12832920      -1.72752282
O       -0.13896000       7.06345000       1.76854000      -0.05887080       0.09668753      -0.25977261
O       -0.46938000      -1.05584000       4.39826000       1.46785948       1.40692470       0.27191463
O        0.10401000       4.03341000       2.29961000       1.22083513       0.31932500       1.65974776
O        1.90518000       2.52339000       3.71844000      -1.41334751      -1.42058172      -0.99775448
O        0.28406000       2.03036000       5.85440000       0.87842537       0.11268261       0.80703310
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.63498042 magmom=21.9984894 free_energy=-98.63638793 stress="-0.07890560572958275 0.009125551821308914 0.013258247851222173 0.009125551821308914 -0.059631661534478436 0.031218599935021598 0.013258247851222173 0.031218599935021598 -0.08205579070574341" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11728000       5.22724000       0.83235000       0.07463298       0.65187039       1.09443320
Cr       1.69828000       0.88942000       4.80722000       0.06464772      -1.50945934       0.53072245
Cr       1.66532000       2.91609000       1.64405000      -0.18434294      -1.36267112       3.09620522
Cr       0.34490000       3.60861000       4.32942000      -0.78877496      -1.89756727      -2.04367949
Cr       2.92485000       0.14713000       0.24578000       0.73331871       0.48777143      -2.49980141
Cr       1.35435000       6.96485000       2.99838000       0.30438793      -0.00608598       1.80870516
O        0.12558000       1.81065000       1.29980000       0.65999724      -1.81030852      -1.51634455
O        1.83789000       4.35672000       5.26005000      -0.17321331       2.76281235      -0.13751403
O       -0.12050000       7.22724000       1.77199000      -0.73728938      -2.30734678       0.53355679
O       -0.31258000      -1.02395000       4.50280000      -0.37099213       0.61373568      -0.44063671
O        0.26543000       4.05939000       2.36537000      -0.78207006       1.49213441       0.55859926
O        1.69585000       2.39416000       3.61908000       0.92655536       0.46882279      -0.21056094
O        0.29282000       1.74434000       5.91373000       0.27314283       2.41629198      -0.77368495
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.79794765 magmom=21.9961901 free_energy=-98.80510048 stress="-0.06212096957843714 0.012943644309105625 0.0035780782502852515 0.012943644309105625 -0.06076246689418676 0.014325117756705193 0.0035780782502852515 0.014325117756705193 -0.07499258933762618" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15506000       5.22545000       0.76987000       0.02031957       1.16107613       0.70756860
Cr       1.73325000       0.88090000       4.78336000      -0.43013065      -1.97100368       1.11154506
Cr       1.63895000       2.88935000       1.67408000      -0.14491111       0.63151983       1.65075043
Cr       0.30100000       3.52487000       4.28223000      -0.80778632       0.02803894      -0.67632678
Cr       0.01787000       0.23190000       0.34041000       0.10019058      -3.35774516      -2.83231661
Cr       1.32800000       6.97285000       3.04599000       0.11660670      -0.48472484       1.75804262
O        0.12782000       1.78379000       1.26002000       0.27103667       0.92786210       0.48450024
O        1.78821000       4.44463000       5.23094000       0.07072019       0.95847783      -0.83102966
O       -0.16008000       7.02325000       1.81481000      -0.19480879      -0.33190493      -1.29094199
O       -0.32381000      -0.84230000       4.52713000      -0.00977516      -0.15534625      -0.28066900
O        0.29313000       4.27821000       2.43025000      -0.31213994      -1.27638012      -0.05271125
O        1.61790000       2.28024000       3.54764000       1.05200121       1.47418975      -0.68170997
O        0.25175000       1.69178000       5.79618000       0.26867706       2.39594039       0.93329830
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.98283747 magmom=21.9955995 free_energy=-98.98296594 stress="-0.05185992693396815 0.01431932285876481 -0.001233472442640701 0.01431932285876481 -0.08144345168689657 -0.0212862896494963 -0.001233472442640701 -0.0212862896494963 -0.06551921962110809" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19862000       5.31276000       0.75298000       0.40062668      -1.49295582      -1.40394382
Cr       1.77952000       0.82176000       4.81518000      -2.75629131       2.73029541       2.09972241
Cr       1.59375000       2.88751000       1.78633000       1.29127316       1.53689221      -1.64534739
Cr       0.20884000       3.48236000       4.20449000       0.71373632       0.98434499       1.06778961
Cr       0.12114000       0.16405000       0.28883000      -0.15246137      -2.34303932      -1.22400383
Cr       1.30598000       6.95294000       3.15837000      -0.46807575      -1.19585484      -1.30375503
O        0.18142000       1.78030000       1.26254000      -1.02000457      -0.07968426      -0.15390968
O        1.78717000       4.62488000       5.10376000      -0.08942509      -0.59047489      -0.08017294
O        2.80995000       6.77304000       1.76333000      -0.68569597       3.55871700       1.48871611
O       -0.42313000      -0.73656000       4.45120000       2.20896116      -3.11103759       0.12369300
O        0.22508000       4.27857000       2.42717000      -0.12894211      -1.28035201      -0.47525830
O        1.73997000       2.34224000       3.54212000      -0.38148596       0.24160867       0.40046948
O        0.15405000       1.93488000       5.69861000       1.06778481       1.04154045       1.10600037
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.63033421 magmom=21.9964424 free_energy=-99.63033469 stress="-0.08567446663368514 -0.002575875640938575 0.012582288923885415 -0.002575875640938575 -0.052771937252325186 -0.033257824024041586 0.012582288923885415 -0.033257824024041586 -0.04744635102217565" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22852000       5.39476000       0.71637000      -0.86144239      -0.23240139       1.54227168
Cr       1.75666000       0.88707000       4.93383000      -0.24290045      -0.60177148       1.41154257
Cr       1.60918000       2.92680000       1.81526000      -0.06748151      -1.19284176      -1.83711106
Cr       0.16362000       3.53844000       4.19239000       2.38736642      -0.10073423       0.57317028
Cr       0.20735000      -0.02927000       0.16331000      -0.29106467       1.42538077       0.59418842
Cr       1.26765000       6.87447000       3.18877000       0.76608861      -0.10668466      -1.13998213
O        0.09001000       1.84152000       1.20929000       0.37243214      -1.33937650      -2.08686834
O        1.81540000       4.59781000       5.01805000      -1.02418357       0.30254109       0.41109620
O        2.81244000       6.96296000       1.87132000      -0.54497568       0.29664386      -1.64537541
O       -0.38932000      -0.95668000       4.41597000      -0.48875900       0.54970828       2.14615357
O        0.13366000       4.07082000       2.28801000      -0.01081290       1.89530915       0.64115749
O        1.77304000       2.35930000       3.66006000      -1.35750272      -0.40401191      -1.25909995
O        0.15755000       2.21623000       5.77388000       1.36323573      -0.49176122       0.64885668
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.00462864 magmom=22.0013948 free_energy=-100.00772297 stress="-0.03561361160139081 -0.011047444445395817 0.018255693841915787 -0.011047444445395817 -0.03382603912478711 -0.0014272419034913931 0.018255693841915787 -0.0014272419034913931 -0.05768157625084727" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18641000       5.45000000       0.76300000      -0.48488697      -0.63031384       1.03545213
Cr       1.74633000       0.93749000       5.09817000       0.03746297      -1.28636359      -0.07154329
Cr       1.62173000       2.88569000       1.74328000      -0.68361773      -0.97927043      -1.72114253
Cr       0.22749000       3.59446000       4.20391000      -0.24948681      -1.27579093      -0.08317598
Cr       0.43730000       7.98981000       0.09581000      -0.59070060       1.69205627       1.75354608
Cr       1.26155000       6.81979000       3.15592000       0.37662960       0.96985257       0.55122607
O        0.06061000       1.73248000       0.84072000       0.15870022       1.84413818       1.09686387
O        1.75867000       4.55724000       5.08627000      -0.25674636      -0.17730857      -1.00278050
O        2.82507000       7.13676000       1.81527000      -0.72847042      -0.88252430      -0.01895095
O       -0.45394000      -1.03986000       4.57572000       0.74046771       1.30761535      -2.65797093
O        0.09486000       4.15891000       2.22222000       0.45507178      -0.54870393       1.72304606
O        1.61872000       2.32141000       3.62219000       0.87589996       0.25213096      -0.57465874
O        0.31111000       2.27451000       5.91116000       0.34967667      -0.28551775      -0.02991129
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.78803851 magmom=22.0020436 free_energy=-99.79014362 stress="-0.05083086244220398 -0.0009370194712056055 0.002932244041642678 -0.0009370194712056055 -0.053483126278058846 0.00036725969057405935 0.002932244041642678 0.00036725969057405935 -0.08542974236614202" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08716000       5.45743000       0.86611000       0.08042230      -2.38674583      -0.80591090
Cr       1.75502000       0.95161000       5.20352000       0.46026186       0.51368303      -5.14459138
Cr       1.59383000       2.79435000       1.61616000      -0.14737086       1.50214560       1.60614674
Cr       0.27341000       3.57813000       4.19157000      -0.76912298      -1.27877199       0.25320703
Cr       0.41788000       8.03882000       0.10096000      -0.16428709       1.21080897      -0.78232258
Cr       1.27551000       6.84386000       3.14140000      -0.37977980       0.86410948      -0.68769038
O        0.08950000       1.83746000       0.69902000       0.22752655      -1.41170721       3.67947727
O        1.75322000       4.51446000       5.13849000       0.33543510       0.31770429      -0.69727496
O        2.81944000       7.06315000       1.75499000      -0.61245036       1.39082457       0.67937254
O       -0.47513000      -0.94585000       4.36901000       0.70629901       0.23175012       1.54530606
O        0.15636000       4.19721000       2.33546000       0.07194676      -1.31165881       0.22818270
O        1.63838000       2.30628000       3.56130000       0.82744524      -0.20608739       0.04439010
O        0.48678000       2.21111000       6.02148000      -0.63632573       0.56394518       0.08170773
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.29065145 magmom=21.9995869 free_energy=-100.29079339 stress="-0.060812015364042946 -0.0065883318062207995 -0.002797385869831312 -0.0065883318062207995 -0.05314664328798076 -0.03091878207863561 -0.002797385869831312 -0.03091878207863561 -0.042009831061192326" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03714000       5.35692000       0.95061000       0.31081373      -0.35319900      -1.14192710
Cr       1.80626000       0.98270000       5.08002000       0.16668241      -0.96277571      -0.21725032
Cr       1.56644000       2.77024000       1.60687000       1.66006897       1.73287054       2.73313097
Cr       0.28117000       3.49394000       4.19238000       0.89042826      -0.52273129       1.33426151
Cr       0.15940000       0.06735000       0.07459000      -0.11405036      -1.38203018      -0.60509982
Cr       1.27460000       6.93828000       3.08997000      -0.14110947       0.73271625      -0.28250593
O        0.12767000       1.78416000       0.97472000      -0.82869046      -0.43988235      -1.29503078
O        1.88788000       4.48367000       5.16129000      -0.58839777       0.40167687      -0.31951519
O        2.80911000       7.03104000       1.77614000      -0.20160574       1.66600736      -0.43379910
O       -0.45908000      -0.77573000       4.31524000       0.50483268      -0.21444710       2.06290495
O        0.23234000       4.04494000       2.38189000      -0.42614788      -0.00685603      -0.47707784
O        1.82077000       2.25352000       3.57628000      -0.59678572       0.12880794      -0.26702487
O        1.71349000       4.07528000       0.07919000      -0.63603865      -0.78015730      -1.09106647
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.67118931 magmom=21.9986818 free_energy=-99.67127872 stress="-0.06197344313414164 0.007036908430464098 0.012926338795069254 0.007036908430464098 -0.1121393985266671 -0.015326702962210644 0.012926338795069254 -0.015326702962210644 -0.05641168728630596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.85366000       5.25813000       0.98038000       0.46707532       1.95662076      -1.27964955
Cr       1.88591000       0.97908000       4.92717000      -1.34413131      -0.44990140       4.00564926
Cr       1.62112000       2.79712000       1.74964000       0.58875198      -1.31171063      -1.46345433
Cr       0.33017000       3.39739000       4.26369000       1.09258038       1.15685185       0.98091714
Cr       0.07229000       0.13717000       0.01258000      -0.29099003      -2.79117985       0.35191867
Cr       1.26751000       7.08866000       3.01536000       0.16846775       0.49642726       1.13376287
O        0.07690000       1.69724000       1.04176000       0.55890035       1.76609310       0.18863982
O        1.96469000       4.45880000       5.19646000      -0.91285276      -0.11232399      -0.55427117
O        2.79328000       7.08779000       1.73980000      -0.12650298       0.24527827      -0.34587099
O       -0.44751000      -0.67397000       4.50954000       1.50839930      -2.44205794      -2.48064632
O        0.19220000       3.92830000       2.32580000      -0.48963445       0.89899906       1.75683552
O        1.90971000       2.22105000       3.60413000      -1.09962991       1.24316021      -1.57179547
O        0.52596000       2.16061000       6.01763000      -0.12043365      -0.65625671      -0.72203543
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.12612892 magmom=21.9937841 free_energy=-100.12615369 stress="-0.06778466717094665 -0.01369780977645383 0.010397014675998949 -0.01369780977645383 -0.06101755468831268 -0.0020247761812803005 0.010397014675998949 -0.0020247761812803005 -0.06597207197869505" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.81208000       5.28066000       0.95088000       0.18871541      -0.05654807      -0.15257156
Cr       1.94380000       0.94030000       4.95983000      -1.01025070      -2.21882456       1.46604423
Cr       1.69876000       2.76222000       1.82044000      -1.45375348       1.20007200      -2.02071129
Cr       0.42638000       3.39197000       4.38295000      -1.89133598       0.96447973      -1.38196832
Cr       1.81831000      -1.79434000       5.99366000       0.18418442      -0.59260322       0.29283935
Cr       1.07782000      -0.83608000       2.97528000       0.31436975      -0.71611836      -0.08782231
O        0.13022000       1.82975000       0.98111000       0.67077582      -0.92363607      -1.03259657
O        1.87122000       4.38799000       5.21787000       0.29075709       0.39361019      -0.12619804
O        2.77146000       7.09774000       1.67018000      -0.04140514       0.81902797      -0.10756640
O       -0.36717000      -0.88986000       4.34033000      -0.40766909       0.36286032       0.34999824
O        0.06683000       4.02624000       2.45386000       1.21586427       0.30698875       0.20183078
O        1.80145000       2.27447000       3.58777000       0.50980712      -0.83313598       0.94936955
O        0.42428000       1.99735000       5.81989000       1.42994050       1.29382732       1.64935234
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.45544553 magmom=22.0027537 free_energy=-99.46159556 stress="-0.05938782336150289 -0.01847287118396579 0.001892724953436045 -0.01847287118396579 -0.03828215796793632 0.025160303375212006 0.001892724953436045 0.025160303375212006 -0.09172527644088314" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.80772000       5.34141000       0.94590000       0.13663292      -1.15814057       1.39164239
Cr       1.98190000       0.81547000       5.09089000      -0.34789753       0.06444841      -1.46113787
Cr       1.71379000       2.77015000       1.79188000       0.04038289       0.70093606      -0.09322447
Cr       0.41360000       3.46584000       4.41736000      -1.86227113      -1.56104212      -1.99545627
Cr       1.93578000       6.18732000       5.98030000       0.88083566       1.92573042      -1.33299507
Cr       1.09252000      -0.71383000       2.91800000      -0.49558702      -0.89699543      -0.19109732
O        0.25800000       1.82782000       0.72918000      -0.52923222      -1.54364754       2.44556475
O        1.82784000       4.37525000       5.27761000       0.76419673       0.53611398      -0.84776497
O        2.77069000       7.18977000       1.62491000      -0.18120283       0.19794741       0.46260684
O       -0.42642000      -1.00643000       4.16985000      -0.08492997       0.59842564       1.91743585
O        0.10889000       4.17148000       2.53254000       0.41233718      -1.14751444      -0.64044304
O        1.76805000       2.18202000       3.72434000       0.65966960       0.57594951      -1.40832720
O        0.47240000       1.91411000       5.81342000       0.60706571       1.70778865       1.75319638
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.87166743 magmom=21.9993356 free_energy=-99.87643084 stress="-0.04634366123313238 -0.00994947175801406 0.0014207438745819452 -0.00994947175801406 -0.06143697439602534 -0.002874138362910757 0.0014207438745819452 -0.002874138362910757 -0.07130746339498702" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.82889000       5.38423000       1.02909000      -0.07340175      -0.32284464      -0.49739193
Cr       2.01618000       0.70045000       5.16398000      -0.56249236       2.84277135      -0.20015667
Cr       1.72783000       2.82148000       1.75633000       0.09925592      -1.50868406      -0.06743748
Cr       0.28748000       3.48934000       4.33383000       1.31323800      -2.38965147      -0.53801858
Cr       1.91888000       6.15086000       5.92137000       0.56266798       2.17643151      -0.53621318
Cr       1.07978000      -0.66374000       2.84671000      -0.80172573      -0.24278445       1.76019366
O        0.24703000       1.59646000       0.82690000       0.00897778       1.73516656       1.83259276
O        1.88260000       4.40461000       5.25129000      -1.27929926      -1.05847993      -0.89144175
O        2.78447000       7.30354000       1.65775000      -0.56941929      -1.02031876      -0.74018550
O       -0.59160000      -0.91411000       4.26541000       1.42185646      -1.18153534      -0.55148240
O        0.21816000       4.06228000       2.41823000       0.14223203      -0.47675180       0.64612128
O        1.86536000       2.15357000       3.65215000      -0.37227773       0.56124149       0.10703015
O        1.80086000       3.85550000       0.08017000       0.11038795       0.88543953      -0.32361037
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.52284148 magmom=21.9992831 free_energy=-99.52284149 stress="-0.07156942720381507 -0.020358060251630405 -0.006843229246801402 -0.020358060251630405 -0.09132802076898212 -0.0264747587558856 -0.006843229246801402 -0.0264747587558856 -0.057139290176565286" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.86607000       5.42408000       1.11086000       0.22305156      -1.29757203      -1.32662583
Cr       2.04922000       0.74857000       5.22507000      -0.65288997       2.39417517       0.62763989
Cr       1.75686000       2.79082000       1.73769000       0.05191882      -1.69692815       0.44457112
Cr       0.21783000       3.40129000       4.21481000       1.81457685      -0.31418556       1.30989751
Cr       1.95268000       6.20753000       5.84547000      -0.12403139      -0.51427941       1.20206288
Cr       1.02307000      -0.64600000       2.85105000      -0.73485275       0.02546069       1.00687357
O        0.18324000       1.59957000       1.14311000       0.96586494       0.23572422      -1.87331699
O        1.73062000       4.33539000       5.13077000       0.15702344       0.89069357       0.01757969
O        2.73232000       7.23348000       1.61104000      -0.36404883       0.99882692      -0.23122606
O       -0.64784000      -0.88312000       4.28882000       1.62777336      -0.31420773      -1.06338420
O        0.29968000       3.88914000       2.32570000      -0.50968906       1.82504112       1.64520881
O        1.89309000       2.17753000       3.63232000      -1.48905257      -1.33159676       0.55029344
O        1.99403000       3.96792000       0.23585000      -0.96564439      -0.90115206      -2.30957384
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61859357 magmom=22.0034421 free_energy=-99.61869211 stress="-0.06311421759450506 0.001901533145876747 0.010166283821983979 0.001901533145876747 -0.054390862567004206 -0.019020178258988614 0.010166283821983979 -0.019020178258988614 -0.04660508089471181" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07217000       5.41819000       1.12914000      -0.46292079      -0.76344898      -2.20138702
Cr      -0.91779000       0.91392000       5.30010000       1.05256686      -2.44978424      -1.66292340
Cr       1.78500000       2.67474000       1.76082000      -0.07292772       1.70435612       0.81275230
Cr       0.23787000       3.28813000       4.17460000      -0.17960934       1.10181297       2.95389411
Cr       1.99820000       6.23940000       5.81551000       0.07703179      -0.38914757       0.25822364
Cr       0.92544000      -0.65806000       2.90809000       0.09937915      -0.01231197      -0.81762469
O        0.28637000       1.69703000       1.06539000       0.17776293      -0.95919080      -1.33137715
O        1.60781000       4.41784000       5.06467000       1.08308414      -0.52972483      -0.15958858
O        2.61332000       7.23801000       1.52985000      -0.11586228       1.32952480       0.70814833
O       -0.56710000      -0.82924000       4.16803000       0.09150028       0.33786935       1.74700223
O        0.27560000       3.99882000       2.41729000       0.10887874      -0.92033693      -0.13738357
O        1.70114000       2.00976000       3.72623000       0.45664053       0.79872099      -2.09791391
O        2.04310000       3.95009000       0.06041000      -2.31552428       0.75166107       1.92817772
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.35680717 magmom=22.0041451 free_energy=-99.36886601 stress="-0.040357859851752 -0.015040058522366876 0.012359294382982923 -0.015040058522366876 -0.027279767793750596 0.008731500858510093 0.012359294382982923 0.008731500858510093 -0.06034732750108546" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04984000       5.39460000       1.06496000      -0.39835512       0.59015996      -0.95517583
Cr      -0.85751000       1.00316000       5.29106000      -0.89750574      -0.99418601      -1.90998240
Cr       1.81066000       2.62697000       1.83328000       0.22507003       0.75771786      -1.87829766
Cr       0.26196000       3.25803000       4.28943000      -0.08032501       1.68427903       0.01840309
Cr       2.05017000       6.22490000       5.80860000      -0.03789677       0.21243952       0.10530642
Cr       0.82908000      -0.69773000       2.91719000       1.14335064       0.59218200      -0.01209449
O        0.44697000       1.66217000       0.67416000      -0.33662850       0.30714367       3.12952595
O        1.72790000       4.43204000       5.03748000       0.33906771      -1.52296992       0.36636570
O        2.53466000       7.37585000       1.57547000       0.07121311      -1.03460289      -0.25360131
O       -0.54817000      -0.64456000       4.27659000      -0.74971948      -1.00039457      -0.26100312
O        0.20489000       4.02825000       2.44127000       0.01068883      -1.20664811       0.41911537
O        1.56372000       1.90381000       3.59217000       0.60324995       0.67942923       0.92098354
O        1.74439000       3.94052000       0.05695000       0.10779033       0.93545023       0.31045474
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.45326262 magmom=21.9969697 free_energy=-99.4544456 stress="-0.07013576637630088 -0.020753774420573547 -0.011483820978996027 -0.020753774420573547 -0.07349064510204092 -0.016449279235419487 -0.011483820978996027 -0.016449279235419487 -0.059008389632344845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93256000       5.39646000       0.97196000       0.85093146      -0.80133082       1.25480016
Cr      -0.82408000       1.00627000       5.17891000      -0.28120778      -1.09166389       0.47247783
Cr       1.84330000       2.63926000       1.82438000      -1.30176201      -0.21099710      -1.88061406
Cr       0.29459000       3.32980000       4.40550000       1.92221889      -1.46649936      -2.38905394
Cr      -0.88919000       6.20968000       5.81634000      -0.22478401       0.46722158       0.87212092
Cr       0.79170000      -0.70750000       2.91263000       0.79926366       0.44785671       0.79757889
O        0.45211000       1.69259000       0.74276000      -0.87787797       0.19620991       1.49817996
O        1.91181000       4.27096000       5.14212000      -2.09002900       2.32593573       0.40416316
O        2.54908000       7.28597000       1.60988000      -0.72735312      -0.44256622      -1.13619028
O       -0.69993000      -0.64230000       4.29658000      -0.07337304      -2.36066912      -1.59321432
O        0.14336000       3.82962000       2.45588000       1.32776626       1.43017424       0.79110766
O        1.55658000       1.93576000       3.56515000       0.23748074       0.65910498       0.81730231
O        1.42214000       4.11733000       0.14972000       0.43872593       0.84722335       0.09134170
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.93101376 magmom=22.0020378 free_energy=-98.93832527 stress="-0.0940021963650913 0.02525662629491791 -0.006555938074265027 0.02525662629491791 -0.08837193602868981 -0.014066849145974007 -0.006555938074265027 -0.014066849145974007 -0.0727794350299385" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93703000       5.35574000       0.95077000      -0.31551370      -0.74993279       2.35919797
Cr      -0.82804000       0.92023000       5.08927000       0.73318655      -1.53485414       2.30132389
Cr       1.82287000       2.66083000       1.74350000      -1.80003296       1.74740535       2.03923801
Cr       0.39698000       3.38028000       4.39339000      -1.50353441       0.65422287      -0.02677295
Cr      -0.85810000       6.22397000       5.86495000      -0.49481850       0.58892694       1.51469798
Cr       0.77962000      -0.69798000       2.92649000      -1.09581085      -0.60275215      -2.17208549
O        0.26608000       1.74344000       0.98417000       1.09220903      -1.46294123      -2.31879771
O        1.84696000       4.42880000       5.29636000       0.12057236      -0.55823512      -2.85248539
O        2.55376000       7.07762000       1.55113000      -1.14538280       2.63247155       0.76332894
O        2.16721000      -0.88417000       4.13028000       1.76118856       0.41271993       2.42100604
O        0.24488000       3.83155000       2.52805000       0.09873203       1.16812679      -0.91358731
O        1.63016000       2.05521000       3.73035000       0.78581782       0.69651353      -1.39571257
O        1.28559000       4.33791000       0.20111000       1.76338688      -2.99167153      -1.71935140
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.19773216 magmom=22.0020881 free_energy=-100.20012714 stress="-0.04407593546380627 -0.014073055771305385 0.0013664303745156733 -0.014073055771305385 -0.05654915283607164 -0.018417517136947104 0.0013664303745156733 -0.018417517136947104 -0.04597700784275482" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04884000       5.29026000       1.02798000       0.78649182       1.42079062      -1.38769378
Cr      -0.81974000       0.74878000       5.09350000       0.27446789       2.71931044       0.41440662
Cr       1.72573000       2.72868000       1.76158000       0.34258337       0.75687297       0.29641044
Cr       0.42078000       3.45311000       4.34429000      -1.33520725       0.13625807       0.18524280
Cr      -1.07211000      -1.84354000       5.96738000      -0.78805898      -2.52325117       0.13407158
Cr       0.73752000      -0.73423000       2.88210000       0.65094593      -0.74412264       1.02842104
O        0.21141000       1.67324000       0.84544000       0.39275389       1.90252522       1.33457825
O        1.81807000       4.52310000       5.10564000       0.86396155      -0.75703823       0.33233232
O        2.46357000       7.17977000       1.60630000      -0.49620396       0.25687746      -0.50564396
O       -0.72916000      -0.96699000       4.26401000       0.01179325       0.23396383      -1.22731894
O        0.34718000       4.04549000       2.43328000      -0.44977731      -1.19095362       0.69306578
O        1.90161000       2.25038000       3.74390000      -0.10218650      -0.97689426      -0.92052612
O        1.39793000       4.20973000       0.07048000      -0.15156370      -1.23433869      -0.37734602
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.88008017 magmom=21.9995169 free_energy=-99.88029531 stress="-0.05428776909537588 -0.023901215448318695 0.01634508584760395 -0.023901215448318695 -0.056656836244854535 -0.00442092639977686 0.01634508584760395 -0.00442092639977686 -0.057984874603657685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01526000       5.28680000       1.01422000       0.42704542       1.57441004      -2.35477473
Cr      -0.80178000       0.71746000       5.10276000       0.10125678       3.53031443      -0.71457890
Cr       1.66256000       2.80207000       1.79917000       1.73447439      -0.10382758      -1.11605971
Cr       0.38186000       3.51784000       4.30221000       1.42560634      -1.29311365       0.42286351
Cr       0.20451000       8.06270000       0.02429000       0.27932693       0.61373762      -1.19395251
Cr       0.72340000      -0.80780000       2.90268000       0.67696336      -0.17433899       0.94304384
O        0.23848000       1.81520000       0.82414000      -0.52383442      -0.82600780       1.82033395
O        1.92932000       4.48679000       5.06039000      -0.78592473       0.10582634       1.27400773
O        2.38752000       7.30287000       1.61782000       0.17693158      -1.06323460      -0.39004600
O       -0.66855000      -0.95552000       4.25176000      -0.95986029      -1.32081456      -0.07731096
O        0.31871000       4.07704000       2.40352000      -0.58414779      -0.68514045       1.32853748
O        2.09852000       2.24757000       3.66171000      -1.90963072      -0.96707952      -0.65706163
O        0.37639000       2.16097000       5.97723000      -0.05820685       0.60926871       0.71499793
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.08666136 magmom=21.995815 free_energy=-100.08772255 stress="-0.050321444804095845 -0.020343103916798836 0.005970087346065462 -0.020343103916798836 -0.040103017174172466 0.01476019596278458 0.005970087346065462 0.01476019596278458 -0.06830774754742945" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04574000       5.35033000       0.87758000       0.34376597      -1.14802303       2.30516786
Cr      -0.78122000       0.87059000       5.07806000      -0.38120424      -1.33928783       0.43877962
Cr       1.69693000       2.85645000       1.78699000      -0.14878675      -0.64621553      -0.72245872
Cr       0.39944000       3.50982000       4.27955000       0.20970840      -2.10624042       1.00916179
Cr       3.12914000       8.03854000       0.03170000       0.41398533       2.94545378      -0.36933133
Cr       0.74256000      -0.89980000       2.98719000      -0.39446233       0.06522206      -0.80167365
O        0.16987000       1.87077000       0.97630000       0.45162195      -1.13631657      -1.08644622
O        1.94583000       4.43254000       5.29633000      -0.30711825      -0.34567990      -3.05330119
O        2.42889000       7.19721000       1.61058000      -0.27647457      -0.82637357       0.59827058
O       -0.78617000      -1.01229000       4.23340000       0.35052517       0.12248560       1.72400102
O        0.15710000       4.02371000       2.47706000       0.60490864       1.36257248      -0.95491189
O        1.95129000       2.06605000       3.56116000      -0.45615136       1.75661470       0.39215206
O        0.52730000       2.07963000       5.98053000      -0.41031795       1.29578823       0.52059008
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.70855203 magmom=21.9985776 free_energy=-99.72071082 stress="-0.05531534463144752 -0.006772683460192956 -0.015086879072002997 -0.006772683460192956 -0.06045791740590602 -0.0036274781347751897 -0.015086879072002997 -0.0036274781347751897 -0.08482486631351549" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12098000       5.35912000       0.83138000       0.91898918      -1.09255627       0.65704321
Cr      -0.79798000       1.00291000       5.07215000      -0.33174126      -2.33425167       1.00523853
Cr       1.74457000       2.86400000       1.73978000      -1.12328554      -0.61149824      -0.15749009
Cr       0.43531000       3.41300000       4.28968000      -1.38985655       0.56620868      -0.80293665
Cr       2.87612000       0.04470000       0.01622000      -0.62364736      -1.93553911       1.59200286
Cr       0.94528000       7.08999000       3.05740000      -0.02799959      -0.23058246       0.45076234
O        0.15156000       1.75329000       0.90957000       0.86762745       1.22190877       0.33761130
O        1.88978000       4.38099000       5.14864000       0.49605957       1.39870068      -0.64976926
O        2.54485000       6.90116000       1.74130000      -1.38294022       2.02207736      -0.56880246
O        2.10046000      -0.92625000       4.44766000       1.55655040       1.13070790      -1.81751386
O        0.07960000       4.16022000       2.35433000       1.33072212      -1.16501449       1.20328110
O        1.67315000       2.09892000       3.57952000       0.94833124       0.65151768      -0.96137279
O        1.79303000       3.99469000       0.04412000      -1.23880943       0.37832117      -0.28805422
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.73700953 magmom=22.0034494 free_energy=-99.73801791 stress="-0.06519151201185722 0.005634593522836656 -0.004536612234655322 0.005634593522836656 -0.07063161899934273 -0.04212091641076579 -0.004536612234655322 -0.04212091641076579 -0.05079183892932262" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19974000       5.30499000       0.84815000       1.10937216       1.54600281      -0.31230641
Cr      -0.86448000       1.01394000       5.11898000      -0.55131289       1.10399706       0.10433498
Cr       1.74368000       2.82311000       1.69206000      -0.02090603       1.02920717       0.61997950
Cr       0.39215000       3.38331000       4.26117000      -0.88887956       1.83636680      -0.91601920
Cr       2.80905000       0.08347000       0.05421000       0.26646847      -1.39216008      -0.35150003
Cr       0.95511000       6.97459000       3.14443000       0.42398939       0.40071043      -0.06967521
O        0.24949000       1.83865000       0.83143000      -0.09114807      -0.03409037       0.89899026
O        1.90489000       4.53563000       4.87580000      -0.41948099       0.24690509       1.67945172
O        2.54704000       6.85227000       1.80733000      -1.19749219       1.18858426      -1.19873219
O       -0.78890000      -0.65985000       4.41512000       0.47785780      -3.19832600      -0.68721201
O        0.23883000       4.10308000       2.35257000       0.22922994      -1.46369785       0.68994913
O        1.64850000       2.18855000       3.52439000       1.82613800      -1.04510469       0.26863380
O        1.73272000       4.12312000       0.05328000      -1.16383603      -0.21839463      -0.72589431
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58541402 magmom=21.9983021 free_energy=-99.58605334 stress="-0.08105824933655155 0.009777163745017244 0.021360911484846954 0.009777163745017244 -0.04812067585376665 -0.033491055357684076 0.021360911484846954 -0.033491055357684076 -0.07115493614747422" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27097000       5.31180000       0.85110000      -0.46678890       1.98354672       0.80987354
Cr       2.01277000       1.01962000       5.16232000      -0.17193024      -0.41525719      -1.48699919
Cr       1.75891000       2.80105000       1.69276000       1.40513206      -0.10435415       0.70811350
Cr       0.30268000       3.47335000       4.18466000       1.35826644      -0.14078666       1.37035526
Cr       2.78322000       0.04153000       0.08532000       0.72130132       0.27630785      -0.16371058
Cr       0.98981000       6.89951000       3.20997000       0.54153770       0.36363655      -2.79619681
O        0.26257000       1.95139000       0.82918000      -0.26621384      -2.39585630       0.17672351
O        1.86044000       4.64671000       4.95926000      -0.30162536      -1.16019985      -0.10305398
O        2.45999000       6.93153000       1.71484000      -0.08091833      -0.11401530      -0.10573549
O       -0.66389000      -0.70525000       4.27909000      -0.89359080      -0.66445882       2.87650988
O        0.40831000       3.89376000       2.36959000      -1.63881974       2.28971352      -0.79121131
O        1.96219000       2.12619000       3.55668000      -0.91302981       1.12248981      -0.22126702
O        0.44060000       2.39523000       5.95528000       0.70667948      -1.04076618      -0.27340131
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.70036627 magmom=21.998254 free_energy=-99.70668546 stress="-0.03914163395336944 -0.019297242881101465 0.012169092812167442 -0.019297242881101465 -0.06777005576063391 -0.015539192668763725 0.012169092812167442 -0.015539192668763725 -0.07295430309776745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28645000       5.40331000       0.86576000       0.14363356      -0.46369902      -1.79855177
Cr       1.89358000       0.99068000       5.13404000       0.05694759      -0.62630026       0.09229807
Cr       1.84062000       2.75203000       1.73698000      -1.33621421       0.13972120      -0.42761935
Cr       0.28841000       3.59676000       4.16597000       1.31417083      -0.26937792       1.40583342
Cr       2.81828000      -0.00280000       0.10020000       0.02790361      -0.50262977      -0.52877077
Cr       1.04439000       6.88629000       3.14694000      -0.69073292       0.85427040      -0.13553092
O        0.17579000       1.73037000       0.79451000       0.84406497       1.42872245       1.65389085
O        1.76389000       4.52403000       5.13960000       0.69573324       0.32942479      -1.18972615
O        2.45397000       6.92339000       1.65539000      -0.46901532       0.74610744       1.73320530
O       -0.71146000      -0.88660000       4.50310000       0.65488150      -0.23526690      -1.45363467
O        0.30754000       4.07407000       2.20622000       0.29498433      -0.88079551       1.85549945
O        2.13146000       2.19958000       3.65235000      -1.90352344       0.16100305      -1.84028621
O        0.43556000       2.41660000       5.83054000       0.36716627      -0.68117996       0.63339274
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.31034646 magmom=22.0016752 free_energy=-99.31159236 stress="-0.06208081537872857 -0.009013751706593371 0.006765902928097451 -0.009013751706593371 -0.032895317373738575 -0.006061941563690056 0.006765902928097451 -0.006061941563690056 -0.09452532777215271" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.25868000       5.45467000       0.80276000       0.28264715      -2.59370636       1.38595528
Cr       1.79050000       0.91137000       5.09261000       0.41557718      -0.05808427      -0.25258750
Cr       1.86918000       2.69566000       1.76013000      -2.29301752       2.59146307      -0.91518986
Cr       0.34011000       3.70986000       4.21982000       0.20339171      -3.12124005      -1.08172774
Cr       3.06925000       8.03334000       0.09598000      -0.31540696       0.89456362       0.93317527
Cr       1.07313000       6.94119000       3.07143000      -1.56901743       0.21930175       1.82545851
O        0.18461000       1.68994000       0.94956000       1.47724948       0.16488760      -0.49233147
O        1.82092000       4.46734000       5.18616000       0.25938695       1.82420422      -1.68717592
O        2.52950000       6.98017000       1.85633000       0.48277753       0.65434958      -2.23232800
O       -0.78135000      -1.02906000       4.48774000       1.51397597       0.95064544      -0.77856741
O        0.20175000       4.19131000       2.25404000       0.69611404      -1.32528132       1.31087107
O        1.95189000       2.30899000       3.54555000      -0.52251930      -0.00286152       1.70629308
O        0.53253000       2.30901000       5.85055000      -0.63115882      -0.19824175       0.27815471
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56083506 magmom=22.0003162 free_energy=-99.56086051 stress="-0.07336524603093247 0.0013878034862908918 -0.009557746113130651 0.0013878034862908918 -0.046699873920666816 -0.03058293326957527 -0.009557746113130651 -0.03058293326957527 -0.07040590569451405" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19505000       5.35459000       0.77658000       0.21797089      -0.56833006       1.06594622
Cr       1.72135000       0.81888000       5.03532000       0.32138597       0.88740978       0.50882359
Cr       1.78686000       2.74490000       1.74984000       0.22423222       2.24511624       0.84604868
Cr       0.41181000       3.67897000       4.23031000      -0.78142834      -0.99073892       1.07414499
Cr       3.13567000       8.03237000       0.11951000       0.74409364       3.45892694       0.00495226
Cr       1.04896000       7.02621000       3.08112000       0.64494308      -0.16338189      -0.64939205
O        0.35455000       1.75314000       1.01838000      -1.43386978      -0.77643862      -0.99113860
O        1.97762000       4.65308000       5.08251000      -1.13336238      -1.95549655      -0.41476092
O        2.71243000       7.07738000       1.75708000      -1.97144535      -0.64259802      -1.09347505
O       -0.70393000      -0.95927000       4.30591000       1.13280001       0.37802463       2.21477564
O        0.22379000       4.11734000       2.43094000       0.24249187       0.13129864      -1.97792691
O        1.63760000       2.40170000       3.68554000       2.28534229      -1.80215291      -0.74732474
O        0.56652000       2.16732000       6.01226000      -0.49315413      -0.20163924       0.15932689
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65372564 magmom=22.0034244 free_energy=-99.65817225 stress="-0.056509099836192046 0.00878217931614447 0.018852700724666573 0.00878217931614447 -0.08509742156387358 -0.013749854319432098 0.018852700724666573 -0.013749854319432098 -0.06955987626654551" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13334000       5.22325000       0.80306000       0.69846383       1.75067173      -1.14093966
Cr       1.69849000       0.79347000       5.01265000      -0.46786804       1.52707109       2.65887754
Cr       1.70626000       2.86903000       1.77607000       0.79795733      -2.13591192       0.23619649
Cr       0.43774000       3.60262000       4.26375000      -0.76994473      -0.85437473       0.09925524
Cr       0.06048000       0.07636000       0.11794000       0.24815866      -1.88021005      -1.69878737
Cr       1.05018000       7.10169000       3.06638000       1.09789727      -0.46481299      -1.75957181
O        0.27953000       1.75065000       0.89872000      -0.63211286       1.94432692       1.30492378
O        1.96081000       4.58192000       5.05690000      -0.31354713       0.00843826       0.52090820
O        2.69023000       6.98632000       1.53299000      -1.12569440       0.01240169       2.49078138
O       -0.56479000      -0.81491000       4.38242000       0.12370598      -1.26649839      -0.60470179
O        0.27212000       4.06619000       2.29855000      -0.49762070      -0.23562763       1.99563974
O        1.70973000       2.20331000       3.76860000       1.07062179       1.30094818      -2.30952303
O        1.66837000       3.93825000       0.17898000      -0.23001699       0.29357784      -1.79305872
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.17283398 magmom=22.000019 free_energy=-100.17741286 stress="-0.06399935269233957 0.010483277450156137 0.019657154580294822 0.010483277450156137 -0.05039694574976537 -0.00770783580890959 0.019657154580294822 -0.00770783580890959 -0.067375446987923" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10400000       5.21105000       0.79336000       0.65492240       0.76627439       0.93302360
Cr       1.69808000       0.85908000       5.09602000       0.14415541       0.53688245      -0.51143305
Cr       1.67829000       2.86363000       1.80952000      -0.81150333      -0.25929942      -0.48025904
Cr       0.40913000       3.51791000       4.30162000      -0.21369575      -1.31970497      -0.54305674
Cr       0.16349000       0.13165000       0.05152000      -0.66152257      -2.12568060       0.36824218
Cr       1.09725000       7.14045000       2.97434000       0.35845908      -0.47586074       0.47497221
O        0.04941000       1.92839000       0.89260000       1.36412194      -1.70900561       0.12719055
O        1.90173000       4.45620000       5.17833000       0.50077421       0.99555590      -0.44739881
O        2.59916000       6.85355000       1.70578000      -0.08313705       1.57288041      -0.80695061
O       -0.54886000      -0.82199000       4.34492000       0.02426655       0.04017235       0.17856651
O        0.20672000       4.02899000       2.38446000       0.02277403       0.65370663       0.66009504
O        1.98660000       2.12447000       3.57838000      -0.78964989       0.77845836       0.81092678
O        1.61404000       3.95570000       0.07649000      -0.50996503       0.54562087      -0.76391862
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.88590442 magmom=21.9981633 free_energy=-99.88933758 stress="-0.06401476574960144 -0.00189211905893765 0.0015463166344063535 -0.00189211905893765 -0.05541805287089108 0.006152889639019754 0.0015463166344063535 0.006152889639019754 -0.09262863890492741" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09165000       5.27403000       0.83638000       0.48778502      -0.68674103       1.68782181
Cr       1.74409000       0.95059000       5.16118000       0.16097484      -1.01183384      -1.52229520
Cr       1.61695000       2.80750000       1.82022000      -0.12968345       0.81735261      -0.38499326
Cr       0.36870000       3.40238000       4.30741000       0.92205629       1.26906855      -0.01160975
Cr      -0.93897000      -1.78928000       6.01328000      -0.74021703      -1.15906435       0.24401780
Cr       1.14907000       7.13958000       2.92278000      -0.98144132       0.07400875       2.16873370
O        0.06916000       1.87404000       0.86289000       0.40921966      -0.61654612       0.79157710
O        1.94137000       4.42622000       5.24948000      -0.09520123       0.84247558      -1.81783402
O        2.62508000       6.89208000       1.75886000       0.20954596       1.46327545      -2.19124932
O       -0.63685000      -0.77915000       4.30162000       1.00378709       0.15971646       0.64344936
O        0.14061000       4.10136000       2.51542000       0.48479797      -0.19620265      -1.43397721
O        2.05814000       2.17830000       3.59470000      -1.84330888      -0.60060351       0.37679914
O        0.37207000       2.22618000       5.85890000       0.11168509      -0.35490590       1.44955985
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.77484097 magmom=21.9961622 free_energy=-99.78138106 stress="-0.05079556813116119 0.007563490168736334 -0.002890035149612889 0.007563490168736334 -0.08287210773535213 -0.004871661712366438 -0.002890035149612889 -0.004871661712366438 -0.0843562227755608" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08069000       5.34112000       0.96043000       0.35979327       0.17538029      -2.47334723
Cr       1.84763000       0.99267000       5.17983000      -0.54749446      -1.52284709       1.41396120
Cr       1.53362000       2.77166000       1.80657000       1.94295676      -0.25905597      -0.88590755
Cr       0.35350000       3.36981000       4.28591000      -0.09495806       1.61120168      -0.14393039
Cr      -0.76344000       6.19272000       5.94350000       0.08834786       1.41140537      -0.30242624
Cr       1.16523000       7.13179000       2.98065000      -0.35563601       0.86497294      -0.35391521
O        0.22702000       1.70704000       0.86389000      -1.26077983       0.85971046       0.51265254
O        1.98629000       4.45783000       5.09979000      -1.21552020      -0.56851202      -0.31921093
O        2.79102000       7.12738000       1.52189000      -1.34105485       0.30590060       2.18374225
O       -0.66583000      -0.65235000       4.33382000       1.61317040      -1.49947831      -0.61620651
O        0.16554000       4.11769000       2.36334000      -0.34050484      -1.68388292       1.89773992
O        1.77216000       2.16577000       3.73469000       0.49311901       0.75377863      -2.07309195
O        0.31738000       2.27264000       5.91360000       0.65856094      -0.44857367       1.15994010
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.81753346 magmom=21.9988441 free_energy=-99.81773125 stress="-0.07760987210505675 6.03306269390796e-05 -0.002206283485921155 6.03306269390796e-05 -0.051784851428285185 -0.023947909270353524 -0.002206283485921155 -0.023947909270353524 -0.06000452375968162" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06825000       5.42289000       1.00306000       0.12770062      -1.02440309      -0.75610819
Cr       1.95721000       0.95375000       5.25326000      -0.85222311       0.01111645      -1.23754999
Cr       1.55067000       2.71158000       1.74634000       1.56696869       0.21198642      -0.23759089
Cr       0.32416000       3.46038000       4.24436000      -1.02834487      -1.31029070      -0.38403891
Cr      -0.80497000       6.14132000       5.84905000       0.16451172       2.26540829       0.70142091
Cr       0.97357000      -0.92606000       3.03697000       1.33560381       1.01378713      -1.01942430
O        0.16877000       1.71158000       0.89162000      -0.82633079      -0.42963656      -0.34029364
O        1.84765000       4.42905000       4.96777000      -0.52642604       0.51783415       1.14662472
O       -0.11483000       7.30507000       1.60236000      -1.70722747      -1.18763066       0.33736984
O       -0.51982000      -0.71992000       4.27821000       0.09045118      -0.93327313       1.01322115
O        0.12443000       3.89622000       2.34341000      -0.36969288       1.24685024       0.97767556
O        1.55967000       2.17651000       3.60718000       1.66254237      -1.06600725       0.85634547
O        1.54008000       4.04926000       0.19581000       0.36246677       0.68425870      -1.05765173
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.4449472 magmom=21.9939041 free_energy=-99.4457918 stress="-0.05732439418828898 -0.016722269706208912 0.002921851903982046 -0.016722269706208912 -0.047830018647841706 0.002581501687332573 0.002921851903982046 0.002581501687332573 -0.09791345648376097" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04172000       5.46171000       1.00334000       0.06788376      -2.43285121      -0.64521006
Cr       2.03611000       0.91767000       5.27593000      -0.65091309       1.02897396      -2.53017695
Cr       1.64258000       2.64854000       1.70866000      -1.77597674       0.66035740       1.21287361
Cr       0.23523000       3.52062000       4.18968000      -0.40545633      -2.83605610       1.62426296
Cr      -0.85931000       6.19804000       5.80124000      -0.82292345      -0.03206018       2.83661923
Cr       1.03740000      -0.82174000       3.03741000       0.66776632       0.28770585       0.07126317
O        0.00525000       1.71135000       0.78630000       1.62173211      -1.35187963       1.41029536
O        1.68241000       4.46140000       5.07890000       0.72576164      -0.36699300      -0.13435443
O        2.76393000       7.16426000       1.77124000      -0.45361243       1.15994014      -1.37645915
O       -0.43616000      -0.87915000       4.34826000       0.26937845       0.89571485      -0.33784085
O        0.03892000       3.84168000       2.40409000       0.90193380       1.46927922      -1.24635174
O        1.67011000       2.00501000       3.62770000       0.10187266       1.23286666       0.12530970
O        1.65998000       4.02006000       0.24937000      -0.24744669       0.28500204      -1.01023083
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61587817 magmom=21.9925015 free_energy=-99.6226498 stress="-0.04194424816063325 -0.011315808484926809 0.013508048462967562 -0.011315808484926809 -0.05952233707690863 -0.009606039271946915 0.013508048462967562 -0.009606039271946915 -0.08157562595361022" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00369000       5.37552000       0.96660000       0.14730150      -0.92406665      -1.03237139
Cr      -0.89851000       0.92235000       5.18939000      -0.66067690      -0.48152766       1.50103270
Cr       1.66804000       2.60737000       1.75761000      -0.24781144       1.16365007      -0.53762484
Cr       0.11271000       3.46091000       4.20889000       1.70937670      -0.24259643       1.14540478
Cr       2.01657000       6.24637000       5.90215000      -0.34356658      -1.66534341       0.66160184
Cr       1.13654000      -0.70257000       3.02538000      -2.39425689      -0.59719340       0.05791121
O        0.13612000       1.61940000       0.82090000       0.49082667       1.72284928       1.51605106
O        1.71390000       4.43878000       5.22452000      -0.30088026      -0.18768639      -1.48824094
O        2.64699000       7.08644000       1.72372000       1.56633485       1.33234465      -0.86570093
O       -0.44163000      -0.81072000       4.37853000       1.02345450       0.05349389      -0.36405295
O        0.12144000       4.00399000       2.26907000       0.31788911      -1.53495334       1.65299639
O        1.85217000       2.01573000       3.71755000      -0.89942609       1.59043571      -2.23350412
O        1.68717000       4.01936000       0.02187000      -0.40856518      -0.22940632      -0.01350280
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.13561068 magmom=21.9999595 free_energy=-99.13792067 stress="-0.08113503013487487 -0.03556251096807916 -0.007988666744874275 -0.03556251096807916 -0.09035849320264905 -0.020657186679876937 -0.007988666744874275 -0.020657186679876937 -0.10175847283840232" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93094000       5.24033000       0.87923000      -0.22892659       0.68335620       0.52049693
Cr      -0.87043000       0.91661000       5.14683000      -2.29763502      -0.00573256       0.37696134
Cr       1.68974000       2.63263000       1.79593000       1.81812992       2.68720556      -1.12935764
Cr       0.09240000       3.41244000       4.29625000       3.81709053       1.02475136      -0.94188859
Cr       3.04064000       8.08009000       0.03921000       1.06377720       1.25097283      -2.37174694
Cr       1.13182000      -0.63639000       2.99311000      -0.67541445      -0.91288317      -1.38425790
O        0.31397000       1.73077000       0.99136000      -1.93000753      -1.41362208      -1.40245661
O        1.74405000       4.39225000       5.18179000      -1.29193356       0.87281295      -0.33799214
O        2.80983000       7.16098000       1.61485000      -0.25163639      -0.94090422       2.28619969
O       -0.41049000      -0.65638000       4.29240000       0.73623820      -2.17680662       0.34961686
O        0.25744000       3.96148000       2.33157000      -0.48968393      -0.17965696       0.71627365
O        1.87623000       2.20910000       3.55875000      -1.59056751      -1.89239384       1.62386425
O        0.47473000       2.12006000       5.80880000       1.32056915       1.00290056       1.69428711
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.5288606 magmom=22.0004679 free_energy=-99.53180162 stress="-0.08368283262244443 -0.02825930662213293 -0.016923670360675384 -0.02825930662213293 -0.055921701869087716 -0.021299301804167236 -0.016923670360675384 -0.021299301804167236 -0.08679274975349835" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.89084000       5.17619000       0.83026000       0.33579002       1.80151227       1.61927266
Cr      -0.91465000       0.89838000       5.13681000      -1.57674272      -0.89417148      -0.21008311
Cr       1.78576000       2.75969000       1.78463000      -1.40224040      -0.73456840       0.10962941
Cr       0.25060000       3.44723000       4.32261000      -1.04631026      -1.27075478      -0.94364111
Cr       2.80316000      -0.02240000       0.10264000       0.38400564       0.20959304      -1.83893669
Cr       1.09533000      -0.63975000       2.90543000       2.46788097      -0.33136495       2.24175393
O        0.17449000       1.74294000       0.87468000       0.85979594       0.10850527       0.43542197
O        1.62964000       4.44033000       5.13607000       1.30560978       0.54027630       0.52038963
O       -0.04908000       7.05354000       1.76089000      -2.35125726      -0.89995575      -2.50660133
O       -0.37450000      -0.70336000       4.24785000       0.02064236      -0.67761951       0.96100039
O        0.25655000       3.90622000       2.44039000      -0.15008259       1.20849065      -1.06311441
O        1.66678000       2.11309000       3.66682000       0.71503357       0.84700623      -0.65544252
O        0.48321000       2.12562000       5.87442000       0.43787496       0.09305112       1.33035119
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.02854135 magmom=21.9717189 free_energy=-99.03990688 stress="-0.05646476141614661 -0.0015910144717547986 0.0006736599610728761 -0.0015910144717547986 -0.1053689325498364 -0.021323149037676934 0.0006736599610728761 -0.021323149037676934 -0.10261245271317844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.89534000       5.22668000       0.86522000       1.06719396      -0.87351745      -1.26636947
Cr       1.98023000       0.84110000       5.13361000      -0.70338799       1.10617068      -0.20000020
Cr       1.82092000       2.84998000       1.77528000      -2.47816484      -1.52934835       0.49001280
Cr       0.37111000       3.46515000       4.28780000      -2.00735501       0.33895905       0.67533424
Cr       2.80304000      -0.02245000       0.08432000       0.34759694       0.01996819      -1.33306730
Cr       1.14090000      -0.69869000       2.89799000      -1.01522629      -1.24177049       0.51293600
O        0.08386000       1.77595000       0.75189000       1.04321500      -0.63459825       2.60351881
O        1.74444000       4.49746000       5.20579000       0.80564597      -0.86791882      -0.92227713
O        2.76495000       6.83264000       1.64993000       0.18668012       3.89777194       1.52230772
O       -0.42223000      -0.76788000       4.27620000       0.58956335      -0.51890154       0.09894976
O        0.20113000       4.04348000       2.35938000       0.70331449      -0.34113811       0.97963326
O        1.59905000       2.09881000       3.71722000       1.45655186       0.56180133      -1.83099414
O        1.59049000       3.92069000       0.14254000       0.00437245       0.08252183      -1.32998435
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.91073829 magmom=21.9979045 free_energy=-99.91322608 stress="-0.05677707832522131 0.008689300292653478 0.03119998847882327 0.008689300292653478 -0.04527392336668904 0.004131958782855309 0.03119998847882327 0.004131958782855309 -0.0920166983565062" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00567000       5.30187000       0.87608000       0.82382576      -0.10239341       0.38528418
Cr       1.86106000       0.82237000       5.14464000      -0.45284025       1.15947868       0.00503397
Cr       1.71758000       2.83501000       1.79149000      -0.66720372       0.02866018      -1.08717965
Cr       0.40291000       3.50579000       4.26455000       1.00794553      -1.71795741      -0.58425142
Cr       3.03111000       8.07034000       0.00763000       0.90087396       1.05801262      -1.01114215
Cr       1.14252000      -0.85735000       2.94268000      -3.76173836      -0.08275624       0.55016900
O        0.14728000       1.75109000       0.95555000       0.06637796      -0.19316354      -0.09861695
O        2.04048000       4.37673000       5.18376000      -2.01375840       1.39601758      -0.15899655
O        2.59551000       7.09755000       1.61457000       1.82739131      -0.28173033      -0.65804648
O       -0.50319000      -0.81317000       4.27980000       1.27136131      -0.78467540       1.14888979
O        0.21437000       4.14212000       2.41254000      -0.02475971      -0.80764034       0.75762793
O        1.81800000       2.22650000       3.54135000       0.23641938      -0.62501270       2.51324691
O        1.46361000       3.89312000       0.17114000       0.78610521       0.95316032      -1.76201858
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.28631832 magmom=21.9929535 free_energy=-100.28649057 stress="-0.04000793227028469 -0.018432946372200616 0.007028937255604723 -0.018432946372200616 -0.029766122617734307 0.0004670484079504052 0.007028937255604723 0.0004670484079504052 -0.04905889984261091" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11740000       5.36037000       0.88990000       0.18885207       0.12699427       0.32658989
Cr       1.76518000       0.86900000       5.16578000      -0.01670865      -0.26518749      -0.30437799
Cr       1.59631000       2.78858000       1.78811000       1.49402596       0.51644705       0.24279295
Cr       0.46924000       3.48852000       4.24007000       0.08353831      -0.90531250       1.82248719
Cr       1.97696000       6.24014000       5.92712000       0.39132660       0.62061583       1.11731382
Cr       1.19535000       7.08228000       2.99386000      -0.12147343       0.88022312      -0.42938280
O        0.16034000       1.73369000       1.07132000      -0.89423998       0.25389546      -1.18423596
O        1.99192000       4.41995000       5.17458000      -0.41902928       0.51659013      -0.85578715
O        2.71136000       7.30573000       1.63801000      -0.56795618      -1.90316304       0.69459682
O       -0.53502000      -0.86999000       4.37171000       0.55055583       0.17802586      -0.38065874
O        0.19789000       4.12214000       2.46211000      -0.00823700      -0.03691989      -1.12023973
O        2.03467000       2.25584000       3.69890000      -1.65690564      -0.35993604      -1.18498161
O        0.31193000       2.13399000       5.90848000       0.97625138       0.37772724       1.25588331
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.06384929 magmom=21.9981337 free_energy=-100.06749364 stress="-0.05802472562830197 0.003575096743790908 -0.0029053374637783257 0.003575096743790908 -0.058710691954193824 -0.009847643640013849 -0.0029053374637783257 -0.009847643640013849 -0.07794134542897457" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21034000       5.41718000       0.91517000       0.13689843      -1.01976516      -1.56940759
Cr       1.73678000       0.91709000       5.17506000       0.58907206      -0.92016191      -0.67044584
Cr       1.57034000       2.76243000       1.79213000       0.66430538       0.28396531      -0.57656524
Cr       0.51709000       3.44174000       4.28044000      -2.22702877       0.51459355       0.05195987
Cr      -1.10560000      -1.81785000       5.92148000      -0.36361826      -0.18977925       2.17105493
Cr       1.09208000       7.01447000       3.01552000       2.36310803       0.88858420       1.55089543
O        0.03032000       1.78775000       0.89301000       0.39006056      -0.14118370       0.38749314
O        1.85143000       4.53957000       5.14710000       1.17812414      -0.97349004      -0.66451893
O        2.77146000       7.10905000       1.72801000      -2.38685011       0.56536232      -1.48316755
O       -0.57394000      -0.84126000       4.36296000       0.26204218       0.54407261      -0.49556052
O        0.17993000       4.07898000       2.30626000      -0.10194112      -0.66601592       1.56915218
O        1.93222000       2.21440000       3.73130000      -0.13446878       0.40314908      -1.77129357
O        0.41215000       2.19213000       5.84794000      -0.36970374       0.71066891       1.50040369
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.1943215 magmom=21.9997336 free_energy=-100.19778578 stress="-0.06242123975698947 0.033029955881877765 0.021448390928861073 0.033029955881877765 -0.07285517860179226 -0.02801485288656136 0.021448390928861073 -0.02801485288656136 -0.07150811865098464" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27957000       5.40821000       0.87740000       0.50592824      -1.87312895      -0.21503716
Cr       1.76349000       0.94346000       5.13985000      -0.31092582       1.29609889      -1.60600284
Cr       1.58672000       2.75183000       1.75790000      -0.08490248       1.10787467      -1.57471918
Cr       0.43547000       3.44024000       4.31734000      -0.80627453      -0.06249463      -1.23857365
Cr       0.11616000       0.06495000       0.00282000      -0.45104123      -1.42959865      -0.34238745
Cr       1.09691000       7.01296000       3.07868000      -1.03288542       0.35169793      -1.22755906
O       -0.02705000       1.82476000       0.72321000       0.88858819      -0.46100396       2.61163419
O        1.97266000       4.49379000       5.09465000      -0.11611813       0.46977648      -0.05976279
O        2.56574000       6.92714000       1.68531000      -0.50083888       1.97322761       0.25301078
O       -0.66457000      -0.70872000       4.27553000       1.32078665      -1.01979328       1.40150496
O        0.16662000       3.97057000       2.31136000      -0.08166101       0.42967535       1.18044597
O        1.75697000       2.20084000       3.55450000       0.66704825      -0.40062552       1.37152381
O        1.62221000       4.14878000       0.03670000       0.00229617      -0.38170594      -0.55407756
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65908052 magmom=21.9987923 free_energy=-99.66122309 stress="-0.07884309216603444 0.026472409370711 0.025827321939910813 0.026472409370711 -0.06902396549437904 -0.014734760021783488 0.025827321939910813 -0.014734760021783488 -0.07742141749519656" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.31740000       5.29437000       0.82634000      -0.59395552       1.96621005       2.64114062
Cr       1.80208000       1.00833000       5.02230000      -0.32830917      -1.36464380       2.63283094
Cr       1.60372000       2.77993000       1.64985000       0.62216885       0.76970901       2.15033029
Cr       0.29461000       3.44512000       4.25561000       1.71806291      -0.81284910      -0.19752943
Cr       0.15502000       0.03168000       0.10678000      -0.39538146      -0.54392502      -0.37181417
Cr       1.06469000       7.05726000       3.10509000      -1.53201129       0.04863163      -0.58592413
O        0.12549000       1.83303000       0.86567000      -0.29661289      -0.10431579      -0.57079626
O        2.09344000       4.49460000       5.18768000      -1.74289934       0.95671360      -0.02341149
O        2.36860000       6.93628000       1.66750000       1.31582939       0.03322249      -0.65280835
O       -0.66741000      -0.71176000       4.37505000       0.88275449      -1.29259364       0.20383267
O        0.17026000       3.95786000       2.45596000      -0.00591026       0.86510569      -1.83690638
O        1.67645000       2.14103000       3.59979000       0.34563596       1.36769847      -1.60703912
O        1.75834000       4.22223000       0.20562000       0.01062832      -1.88896358      -1.78190520
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.26020439 magmom=21.9948724 free_energy=-99.26455346 stress="-0.0509953660097747 -0.010481065584152106 0.009283376593382882 -0.010481065584152106 -0.07273401596748602 0.009097009287729085 0.009283376593382882 0.009097009287729085 -0.09167013706432933" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29735000       5.26873000       0.89962000       0.77262268       2.67181236      -1.05968488
Cr       1.85004000       0.98837000       4.96747000       0.22761038      -1.94750443       1.60925619
Cr       1.67932000       2.84274000       1.63880000       1.16409373       0.41664871       1.07494946
Cr       0.20700000       3.41910000       4.14130000       0.57779443       2.19363279       2.83981479
Cr       0.16278000      -0.02103000       0.19913000      -0.26891637       0.40933520      -0.25533452
Cr       0.94479000       7.12812000       3.10614000       0.78207317      -0.89931962      -0.26383833
O        0.25163000       1.82614000       0.92843000      -0.93463872       0.04111140      -0.61943453
O        1.93844000       4.55510000       5.36486000       0.15326943      -1.91642864      -2.71827907
O        2.43237000       6.89851000       1.63922000      -0.22838131       0.56537744       1.61632532
O       -0.62602000      -0.92757000       4.49613000      -0.51127144       0.87871788      -1.22779792
O        0.20819000       4.11023000       2.32106000       0.26398889      -1.30072281       0.73622723
O        1.68076000       2.27503000       3.55026000       0.04952362      -0.85239806      -0.95140659
O        1.95253000       4.10551000       0.10116000      -2.04776850      -0.26026222      -0.78079715
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.29239486 magmom=22.0013149 free_energy=-99.29239996 stress="-0.07421402338939935 -0.003182236149129558 -0.0003371157417902575 -0.003182236149129558 -0.06853188362290201 -0.007104261685154657 -0.0003371157417902575 -0.007104261685154657 -0.08511963991329764" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27117000       5.39334000       0.92843000       0.05686557      -1.34278507      -1.57208695
Cr       1.92411000       0.82839000       4.98418000      -0.05074704       0.68303242       0.39420004
Cr       1.83032000       2.91969000       1.67042000      -1.26636575      -0.60267114      -2.51292555
Cr       0.15262000       3.48994000       4.15259000       2.69051760      -0.71627110       1.35097506
Cr       0.13974000      -0.06170000       0.26112000      -0.55643946       0.08589522      -1.84219688
Cr       0.65243000      -0.93206000       3.12330000       3.59422547      -0.59940674       1.96249738
O        0.22104000       1.81758000       0.83179000       0.74016837       0.20008484       0.58489800
O        1.81225000       4.34722000       5.16745000      -0.65610094       1.97494012       0.22954967
O        2.57699000       6.95979000       1.84733000      -2.76130970       1.03352901      -2.41168712
O       -0.75135000      -1.05371000       4.41191000      -0.41502221       0.09341614       0.72450393
O        0.30456000       4.05296000       2.29381000       0.07732851       0.69589158       0.80267612
O        1.73568000       2.37355000       3.44149000      -0.14629585      -1.95542228       1.60475356
O        0.71932000       2.12167000       5.88490000      -1.30682457       0.44976699       0.68484273
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.41482695 magmom=21.9988824 free_energy=-99.41500098 stress="-0.06105593523213144 -0.018570815104731308 -0.014505031061054914 -0.018570815104731308 -0.049359874225671896 -0.002035247854491724 -0.014505031061054914 -0.002035247854491724 -0.060211034531156234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22332000       5.47360000       0.86991000       0.09324888      -2.10189673       0.01694347
Cr       2.00457000       0.71482000       5.01026000       0.22651182       3.50771349      -0.22248857
Cr       1.90526000       2.93495000       1.61488000      -1.53897457      -0.97130772       0.66538681
Cr       0.21828000       3.52113000       4.23078000       0.68413842      -2.91013872      -0.39197631
Cr       0.26160000       8.02800000       0.21962000      -0.38585620       0.98132609      -1.50507759
Cr       0.68521000      -0.92524000       3.22307000      -1.32228209      -0.70715237      -2.71908567
O        0.28677000       1.83677000       0.75115000       0.62844884      -0.66172392       1.75075412
O        1.69637000       4.42010000       5.08404000       0.74531360       1.45248672       1.00379059
O        2.50006000       7.11614000       1.78196000      -0.89846718      -0.16817976       0.15714665
O        2.06773000      -1.07260000       4.40040000       2.21878392      -1.47130084       1.45480734
O        0.39127000       4.06684000       2.34246000      -0.24755883       0.88733584      -0.42054059
O        1.80938000       2.19386000       3.57580000       0.05410008       0.66404623      -1.11128797
O        0.41835000       2.02714000       5.78534000      -0.25740669       1.49879170       1.32162772
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.39101482 magmom=22.0064356 free_energy=-99.39546527 stress="-0.02922379554297888 -0.04143431944903338 0.0031381610209050936 -0.04143431944903338 -0.05503842726525947 0.005922645310641148 0.0031381610209050936 0.005922645310641148 -0.054033554887833256" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16457000       5.45486000       0.84209000       0.03208369      -0.06285562       0.53023375
Cr       2.06664000       0.75258000       4.98285000      -0.22948446       0.46900759       0.58677002
Cr       1.89255000       2.88891000       1.61446000      -0.68980062      -0.02719952       0.65300828
Cr       0.32086000       3.41371000       4.26529000       0.36528119       0.64717271      -0.23850199
Cr       2.95630000      -0.02041000       0.12258000      -0.18216596       0.60207776       2.04237433
Cr       0.68376000      -0.91534000       3.26610000       0.51552571      -0.97197139      -3.23395606
O        0.38736000       1.78407000       0.82373000      -0.42677496       0.43013108       0.73585652
O        1.73484000       4.60512000       5.20849000       0.02118090      -2.96533740      -1.98188547
O        2.40954000       7.18745000       1.73259000      -0.10875239      -0.67599555       1.26271890
O       -0.77653000      -1.13787000       4.48754000      -0.03582247       0.64411380      -1.61333753
O        0.38978000       4.18881000       2.26738000      -0.14798663      -1.72012511       1.62465569
O        1.90627000       2.17453000       3.59688000      -0.60441522       0.92591268      -1.16942402
O        0.16072000       2.02264000       5.84879000       1.49113120       2.70506898       0.80148758
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.90067302 magmom=21.990717 free_energy=-99.90110528 stress="-0.07753322199145149 -0.013022958030420912 0.018028683264381336 -0.013022958030420912 -0.05968170623551768 -0.006060208246673724 0.018028683264381336 -0.006060208246673724 -0.05252036912633496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09986000       5.41630000       0.88001000      -0.16207104       0.23793319       1.64975616
Cr      -0.86687000       0.81122000       4.92996000       0.49793282       2.07945420       2.01969136
Cr       1.84280000       2.83657000       1.67328000      -0.47814641       1.37351984      -0.19449811
Cr       0.43602000       3.31944000       4.26131000      -0.79161393       2.75261663       0.37929752
Cr       2.84255000       0.05122000       0.08880000      -0.05063778      -1.63926534       0.58712146
Cr       0.70838000      -0.91500000       3.18352000       1.68373712      -0.89044792      -2.34820766
O        0.34712000       1.78117000       0.92483000      -0.37196405       0.14798163      -0.83254025
O        1.86204000       4.37679000       5.15934000      -0.01459907       1.35217452      -0.83068012
O        2.41740000       7.14128000       1.88275000       0.05939860       0.16080733      -1.90886658
O       -0.68545000      -1.01135000       4.40092000      -1.61268149      -0.77628780       1.38910768
O        0.31610000       4.05123000       2.34758000       0.23705231      -0.20720653       0.40368266
O        1.92360000       2.33212000       3.52461000      -0.16386351      -2.65225996       0.32015629
O        0.13760000       2.33078000       5.97389000       1.16745644      -1.93901980      -0.63402040
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86901152 magmom=21.992723 free_energy=-99.86946419 stress="-0.0748837554252246 -0.0006636512767669017 -0.006309557834486659 -0.0006636512767669017 -0.08144858980955616 -0.0013600769176821082 -0.006309557834486659 -0.0013600769176821082 -0.05812163965012964" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03410000       5.36519000       0.99399000       0.98666938      -0.03094773      -0.72591964
Cr      -0.78783000       0.89319000       4.90245000       0.53020880       0.07895995       3.81394906
Cr       1.77014000       2.81896000       1.73430000      -0.67808387       0.09413421      -1.22487306
Cr       0.50787000       3.34573000       4.25786000      -1.20768900       0.82813835       1.44410668
Cr       2.73873000       0.05911000       0.08377000       0.23158218      -1.35726529      -0.45730903
Cr       0.80419000      -0.92065000       3.04376000      -0.97937754      -0.38892683       0.41690766
O        0.19112000       1.82630000       0.83824000       0.66465318       0.33250558      -0.06707262
O        1.97512000       4.32609000       5.08752000      -0.48329954       1.77973948       0.43551131
O        2.51464000       7.11023000       1.78210000      -0.69931054       0.61942414      -0.96515814
O        2.12770000      -0.92762000       4.42301000       1.26848592      -0.95155255      -0.71284722
O        0.25774000       3.92061000       2.42458000       0.31259549       1.19586094      -0.18530260
O        1.92600000       2.15337000       3.57311000      -0.04592786       0.33170354      -1.24390387
O        1.44790000       4.31795000       0.06570000       0.09949341      -2.53177380      -0.52808853
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.63979102 magmom=22.0005655 free_energy=-99.64205779 stress="-0.040322045073746225 -0.006520846350125445 -0.008737800076629354 -0.006520846350125445 -0.06133759558351933 0.021130908141135697 -0.008737800076629354 0.021130908141135697 -0.07980235093941024" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01124000       5.30551000       1.05005000       1.52747841       1.12591989      -1.69526635
Cr      -0.70958000       0.91932000       5.01937000       0.06856696      -0.67844062       0.88699335
Cr       1.67593000       2.78631000       1.72581000       0.17474197       0.46404242      -0.39941689
Cr       0.50752000       3.43429000       4.31400000      -0.47150236       0.09938123       0.24962064
Cr       2.67939000       0.02202000       0.03587000       0.87962510       1.33354246      -2.05973133
Cr       1.04911000       7.16507000       2.94495000      -1.46654712       0.15613798       0.00556058
O        0.10603000       1.91004000       0.70633000       0.57746901      -1.08347359       1.69409265
O        1.97078000       4.52827000       5.16720000      -0.07902159      -1.76294870      -0.23811050
O        2.55482000       7.11331000       1.58331000      -0.93286321      -0.11464357       2.31453953
O        2.12209000      -0.92684000       4.33159000       1.62053876      -0.01761206       0.00835739
O        0.22938000       4.02024000       2.42363000      -0.09250022      -0.69461711       1.07541322
O        1.95112000       2.03153000       3.53106000      -0.44113710       1.74936895      -0.24086619
O        1.65779000       4.14534000       0.21088000      -1.36484862      -0.57665728      -1.60118611
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.84840447 magmom=22.0004195 free_energy=-99.85008111 stress="-0.059922754759747905 -0.021350489412908555 0.00035714164878669044 -0.021350489412908555 -0.05094146358174097 -0.007845331399058698 0.00035714164878669044 -0.007845331399058698 -0.06471218408381858" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05195000       5.28437000       1.00568000       0.71086217       0.71608515      -0.14077561
Cr      -0.66117000       0.87388000       5.17017000      -0.63542787       0.72808750      -2.60438121
Cr       1.59620000       2.75228000       1.70633000       1.02500208       1.16122158       1.94977643
Cr       0.47128000       3.53911000       4.37873000      -0.98711600      -2.05255075      -1.47148049
Cr       1.74333000       6.27139000       5.91443000       0.57811293       0.19716599       0.44790914
Cr       1.03569000       7.16110000       2.87296000      -0.10071706       0.55729125       1.79071401
O        0.11224000       1.81334000       0.81155000      -0.08627513      -1.11529417       0.85390417
O        1.89998000       4.43724000       5.27594000       0.67350478       0.03850765      -0.52824139
O        2.50736000       7.08160000       1.68219000       0.19218612       0.52249258      -2.28631751
O       -0.64448000      -0.85062000       4.19861000      -0.59352197      -0.72873993       1.34858017
O        0.17992000       4.07575000       2.51505000       0.35613727      -0.43909130      -0.60418175
O        1.92014000       2.23834000       3.55739000      -0.26383971      -0.34901287       1.79105099
O        1.70041000       3.99341000       0.12098000      -0.86890761       0.76383731      -0.54655696
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.23536353 magmom=22.0018859 free_energy=-99.2428284 stress="-0.06151116862558578 -0.012841229370658909 0.01667426172818612 -0.012841229370658909 -0.07040480693300602 -0.03664643492967889 0.01667426172818612 -0.03664643492967889 -0.06861012160763644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11076000       5.28665000       0.94501000       0.41715453      -0.34929217       0.18865651
Cr      -0.68240000       0.84742000       5.19963000      -1.33119938       1.10142025      -0.28693103
Cr       1.57434000       2.74998000       1.81124000       1.25819655      -0.22378331       0.65759186
Cr       0.38058000       3.55870000       4.36758000      -0.16191727      -1.52384316      -0.03196736
Cr       1.83427000       6.27900000       5.78281000       0.04242786      -0.95501049       1.88153242
Cr       1.02325000       7.18962000       2.87469000       1.11401826       0.50880810      -0.47305764
O        0.11404000       1.57670000       1.02419000       0.10093580       1.43536666      -0.30536718
O        1.89847000       4.35155000       5.32157000      -0.08772054       2.46129854      -1.97566453
O        2.52836000       7.05839000       1.54854000      -0.51386515       0.59166687       0.38127678
O       -0.54753000      -0.77337000       4.24638000      -1.16773738      -1.55177546      -0.29487057
O        0.18187000       4.07840000       2.43045000      -0.06914428      -0.76812379       0.57472779
O        1.84936000       2.39302000       3.89301000       0.45403278      -1.58857495      -2.42279915
O        0.49248000       2.14862000       5.93861000      -0.05518178       0.86184290       2.10687208
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.73970793 magmom=22.0006487 free_energy=-99.74327645 stress="-0.060804429465058894 -0.0054821206451098415 0.011692733096208717 -0.0054821206451098415 -0.08422711073053751 -0.04379282110293542 0.011692733096208717 -0.04379282110293542 -0.04917962319950487" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15855000       5.27846000       0.88034000       0.20185440       1.37977184       0.12371602
Cr      -0.80540000       0.86096000       5.20468000      -0.07635537       0.40937063       1.32944626
Cr       1.63129000       2.71766000       1.97408000       0.65595332      -0.87999070      -2.37878627
Cr       0.27674000       3.49313000       4.33521000       1.71258409       0.38913898       0.12326261
Cr       1.96819000       6.25341000       5.77308000      -0.31237692       1.61497415       3.72223879
Cr       0.87004000      -0.84398000       2.86091000      -0.44639058       0.07883124      -0.57312293
O        0.12430000       1.60518000       1.14491000       0.41746270       0.82527507      -0.81993029
O        1.89329000       4.59367000       5.08216000      -0.92407275      -3.10642596      -1.33857447
O        2.56937000       7.06904000       1.49795000      -0.49506811       0.18754132       0.58950451
O       -0.70071000      -0.81261000       4.24684000       0.72283815       0.13015091      -1.15229900
O        0.17721000       3.96735000       2.33836000      -0.24221857       0.22348132       1.79634139
O        1.84455000       2.27037000       3.87156000      -0.62317871      -0.49856747      -1.21013591
O        1.58796000       4.16850000       0.04498000      -0.59103165      -0.75355133      -0.21166071
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47487799 magmom=21.9968999 free_energy=-99.47496089 stress="-0.08647192549272283 -0.001028437332444191 -0.007507650095402016 -0.001028437332444191 -0.04313548824316985 -0.021319840613417598 -0.007507650095402016 -0.021319840613417598 -0.07117088468877002" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16442000       5.32391000       0.83173000      -0.54867139       1.25637627       1.78266264
Cr       2.03217000       0.87311000       5.25355000       0.15686863       0.08677324       0.54477398
Cr       1.71724000       2.63426000       1.99045000      -0.62146767       1.90278092      -2.59150179
Cr       0.25649000       3.44171000       4.29999000       0.54824533      -0.98177804       0.13203772
Cr      -1.09363000      -1.82560000       5.91330000      -0.59673617      -0.81974048      -0.26765350
Cr       0.88660000      -0.77333000       2.82341000      -1.17476225      -0.26254687       0.50468685
O        0.20092000       1.78239000       1.05578000       0.29050757      -1.55504408      -1.10339502
O        1.76058000       4.54738000       4.78057000       0.23674412       0.88180824       1.62867433
O        2.60960000       7.06169000       1.57132000      -0.78832283       0.78697361      -1.49038588
O        2.20837000      -0.78651000       4.15314000       1.80127171       0.08990828       2.03902955
O        0.15568000       3.91403000       2.46584000       0.57422024       0.09286525      -0.23670816
O        1.80898000       2.03285000       3.73754000      -0.30630972       0.80270549       0.92638973
O        1.55570000       4.26212000       0.18917000       0.42841244      -2.28108182      -1.86861046
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.78607951 magmom=22.0042706 free_energy=-99.79248428 stress="-0.03584616826534585 -0.015015132181861382 0.002233655617951207 -0.015015132181861382 -0.05620693262583901 -0.010609423661114505 0.002233655617951207 -0.010609423661114505 -0.07231391553582206" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11307000       5.39075000       0.87204000       0.77061651      -1.57445251      -0.22523238
Cr       1.90443000       0.86956000       5.29767000      -0.57489975       1.65336041      -1.40567765
Cr       1.76785000       2.62356000       1.85189000      -0.27303322       1.35259670      -0.18479101
Cr       0.26849000       3.37302000       4.27380000      -0.04147801      -0.34628451       0.93910395
Cr      -1.03906000      -1.83192000       6.01068000      -0.15481295      -0.99460965      -2.90780053
Cr       0.85772000      -0.73318000       2.84399000       0.69053980      -0.07664637       1.95374535
O        0.29138000       1.73598000       0.82857000       0.02716886      -0.69807380       3.14163565
O        1.72310000       4.54258000       4.87531000       0.88271915      -0.21511039       1.29469987
O        2.62195000       7.12404000       1.49266000      -1.30519197       0.71834658       1.44238169
O       -0.63721000      -0.68426000       4.30404000       0.49106807      -1.29985060      -1.11453861
O        0.22212000       3.91326000       2.46528000       0.15640148       0.07648268      -1.27865653
O        1.75593000       2.00767000       3.78979000      -0.03249454       1.51046805      -1.66677485
O        1.62847000       4.11709000       0.07536000      -0.63660343      -0.10622660       0.01190505
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.26468946 magmom=22.0013103 free_energy=-100.26680885 stress="-0.06578680611839821 -0.002077016158392317 0.02633480420462768 -0.002077016158392317 -0.06040930159227549 -0.025054503004766353 0.02633480420462768 -0.025054503004766353 -0.05784761562911954" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05520000       5.38589000       0.91342000       0.11718330      -0.74727226       1.00938079
Cr       1.79400000       0.91710000       5.27074000       0.89019912      -1.47012103      -1.89102191
Cr       1.80509000       2.67839000       1.70217000      -0.55157567       0.46142612       0.92349626
Cr       0.27560000       3.32464000       4.28094000       0.38609352       1.45350957      -0.02105254
Cr      -0.82694000       6.22005000       5.96632000      -0.01002334       0.19210106      -0.34257214
Cr       0.86122000      -0.71002000       2.96719000       1.39922167      -0.12598794      -0.22186356
O        0.31777000       1.62527000       0.94939000      -0.30888619       0.90713835       0.18304504
O        1.87929000       4.43408000       5.24679000      -0.44335537      -0.62931139      -2.19822025
O        2.58499000       7.22686000       1.63286000      -0.22820456      -0.36793757      -0.10112978
O       -0.50502000      -0.69065000       4.31409000      -0.96366897      -0.42483534       0.75340351
O        0.30058000       3.89195000       2.23113000      -0.31386859       0.43053285       1.65010667
O        1.73709000       2.22031000       3.66064000       0.59721216      -0.95769719      -0.48059008
O        0.47365000       2.10964000       5.97845000      -0.57032709       1.27845476       0.73701799
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86292102 magmom=21.9973737 free_energy=-99.86325531 stress="-0.07359055652124519 0.0037367403957065657 0.01576634188894039 0.0037367403957065657 -0.06890629527153815 -0.005422298825994702 0.01576634188894039 -0.005422298825994702 -0.06681669751649892" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00012000       5.34843000       1.01146000       0.16255544       0.50578367      -0.08930264
Cr       1.76591000       0.91854000       5.15293000       0.08492274      -0.32137057      -0.21917374
Cr       1.80979000       2.75261000       1.63494000      -1.37645964       0.09331263       1.15696450
Cr       0.30692000       3.36712000       4.27295000       1.30701423      -0.21932389      -0.69610567
Cr      -0.82099000       6.17187000       5.90269000      -0.36375380       0.31252541       2.03670480
Cr       0.92162000      -0.70866000       3.07427000      -0.26410766      -0.49971640      -0.98119651
O        0.26029000       1.65656000       0.99962000       0.25337152      -0.12402749      -1.18735241
O        1.98073000       4.28533000       5.30852000      -1.38477267       1.65695013      -1.89651746
O        2.62424000       7.18839000       1.79773000       0.08141834      -0.22188040      -1.61366610
O       -0.59353000      -0.74274000       4.37983000       0.86185002      -0.54841670       0.03185729
O        0.28354000       3.95889000       2.22135000       0.05133361      -0.48390393       2.59489744
O        1.81536000       2.26359000       3.54419000      -0.12450277      -0.79754080       0.43125325
O        0.35612000       2.09742000       5.92964000       0.71113064       0.64760836       0.43163725
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.44951059 magmom=21.9949865 free_energy=-99.45030776 stress="-0.04485500374741207 -0.011620848855417278 -0.02030234800440299 -0.011620848855417278 -0.08067821933106067 0.0013219495419565168 -0.02030234800440299 0.0013219495419565168 -0.07645852154479273" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03943000       5.33601000       1.14074000       0.52102089      -1.35868080      -2.99534148
Cr       1.80311000       0.91210000       5.01103000      -0.22871071       0.17815744       2.09334300
Cr       1.74246000       2.82172000       1.65223000      -0.76863243      -0.99519605       0.30353834
Cr       0.40574000       3.43489000       4.23350000      -0.79557887      -2.04433757       2.37195453
Cr      -0.83952000       6.13273000       5.94132000      -0.46244497       0.42267635       1.76862677
Cr       0.97728000      -0.76212000       3.11406000      -0.83071264      -0.87016868      -1.39482371
O        0.18591000       1.74840000       0.75426000      -0.08817362       0.61190922       1.22557476
O        1.85665000       4.39491000       5.06507000       0.39721832       0.13714713       0.74432302
O        2.77222000       7.04350000       1.78076000      -1.02885521       2.41891033      -0.12835193
O       -0.66610000      -0.82871000       4.43659000       2.29587605      -0.69333616      -1.22960213
O        0.20103000       4.03992000       2.53221000       0.35129673       0.15923739      -2.54582061
O        1.87955000       2.12223000       3.55928000      -0.36214043       1.13724330      -1.12331109
O        0.28134000       2.10458000       5.91087000       0.99983689       0.89643809       0.90989051
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.25206726 magmom=21.9961608 free_energy=-99.25413827 stress="-0.05325858223258379 -0.019823306336938906 -0.01111631519820015 -0.019823306336938906 -0.058930611284825456 0.03167093155726069 -0.01111631519820015 0.03167093155726069 -0.08346203067376579" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04851000       5.31140000       1.15625000      -0.10751985       1.48706200      -3.94499525
Cr       1.88587000       0.92266000       4.97539000      -0.21673689      -0.76164712      -0.01570749
Cr       1.61708000       2.83504000       1.69175000      -0.12888869      -0.05547940      -1.19763635
Cr       0.46712000       3.43872000       4.28818000      -2.22996009      -0.86719700      -0.07184253
Cr       0.25242000       7.98847000       0.04800000       0.49763063       2.59635051      -1.58163841
Cr       0.99606000      -0.89547000       3.07025000       1.81732849      -0.14457849      -0.44028666
O        0.06134000       1.94363000       0.64112000       0.29466954      -1.85074937       2.64912352
O        1.81299000       4.54780000       4.96997000       1.30324055      -0.91731910       0.92526418
O        2.84206000       7.16351000       1.72206000      -1.80623244      -0.02604608       0.20089413
O       -0.46352000      -0.93296000       4.29437000      -0.58832034       0.12099146       1.83122871
O        0.14392000       4.09687000       2.46211000       0.55830460      -2.12717604       1.31525828
O        1.86511000       2.11534000       3.48273000      -0.21368920       1.21537104       0.01761806
O        0.33545000       2.12998000       5.94959000       0.82017370       1.33041760       0.31271981
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.06882362 magmom=22.0027491 free_energy=-100.06883119 stress="-0.06130502623422129 0.007810862084450659 0.03195195564920829 0.007810862084450659 -0.05665487609891355 0.0011209832278686065 0.03195195564920829 0.0011209832278686065 -0.04150449414671674" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04719000       5.35707000       1.01802000       0.06443663       0.39606274      -1.32725446
Cr       1.99439000       0.90540000       4.98867000      -0.83759314      -0.55067041       0.31994486
Cr       1.47522000       2.83056000       1.67360000       1.85805680      -0.42271786      -0.23629351
Cr       0.41407000       3.42155000       4.36343000      -0.13249927       0.55069708      -1.94519020
Cr       0.00481000       0.00335000       0.11846000       0.75891198       1.41904046      -2.52483516
Cr       1.27743000       7.03582000       2.98461000      -0.36240475       0.54523933       1.59989431
O       -0.02470000       1.86958000       0.84256000       0.50516542      -0.52386674      -0.62727256
O        2.01411000       4.53964000       5.08114000      -1.29013489      -0.76126942       0.91121326
O        2.71458000       7.27623000       1.73688000       0.39748169      -1.20560823       0.23094883
O       -0.36840000      -0.92824000       4.34017000      -0.56429838       0.04693985       0.79992541
O        0.12043000       3.93550000       2.34083000      -0.86761911       1.74929439       1.11753162
O        1.79543000       2.27091000       3.50635000       0.13177613      -0.84242941       1.22206271
O        0.51267000       2.25355000       5.94383000       0.33872089      -0.40071177       0.45932489
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.40437943 magmom=21.9964446 free_energy=-99.40959674 stress="-0.051503314914679854 -0.007131957408225339 0.025060286486986542 -0.007131957408225339 -0.09970473176686115 -0.011383666771328287 0.025060286486986542 -0.011383666771328287 -0.08352048668216344" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.94949000       5.42592000       0.86409000       0.10865869      -2.09156617       2.93021875
Cr       2.05343000       0.88085000       5.02271000      -1.24041781       0.54042196       1.39282634
Cr       1.43648000       2.80763000       1.66449000       1.77347892       0.68942935       1.33274212
Cr       0.35084000       3.44433000       4.33108000      -0.02737676       0.30295715      -0.29299269
Cr       2.97644000       0.13423000       0.06554000      -0.06012802      -3.38537734      -0.68797046
Cr       1.33461000       6.92320000       2.98781000      -1.45134628       0.73456391       1.83117889
O       -0.00614000       1.75682000       0.90294000      -0.20805216       2.33832666       0.52238426
O        2.00274000       4.46149000       5.32949000      -0.64381325       1.91427000      -3.44698188
O        2.74451000       7.14253000       1.74279000       1.01862298       0.72991638      -0.32717709
O       -0.45552000      -0.88783000       4.45069000       1.01887955      -0.87521850      -1.36149617
O        0.00303000       4.01522000       2.34687000       0.31037235       0.31341945       0.60062867
O        1.77533000       2.26118000       3.73874000       0.47106046       0.18579078      -2.35725687
O        0.68665000       2.26493000       5.96617000      -1.06993870      -1.39693362      -0.13610387
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.10890614 magmom=22.0029102 free_energy=-100.11204927 stress="-0.04715748687075088 -0.01958777833390789 -0.019061770708369584 -0.01958777833390789 -0.05677293220305615 -0.017108989523460162 -0.019061770708369584 -0.017108989523460162 -0.06359997757246015" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02059000       5.39370000       0.85368000      -0.35455560      -1.13578679      -0.84298709
Cr       2.04235000       0.88842000       5.10871000      -0.92293416       0.40688919      -0.66285267
Cr       1.50536000       2.81645000       1.74865000       0.81502046       1.63058231       0.31741074
Cr       0.29819000       3.49137000       4.26142000       0.20262220       0.30842774       0.55280747
Cr       1.82777000      -1.75416000       6.02041000       0.12264707      -0.67588240       1.12102036
Cr       1.31521000       6.87564000       3.07450000      -0.28742445       0.57415377      -0.91074384
O        0.01253000       1.91862000       0.88320000       0.41043959      -1.58538215       0.31557202
O        1.81942000       4.61059000       5.14492000      -0.14058088      -1.52040934      -0.96131853
O       -0.03709000       7.04411000       1.70311000      -1.10314513       1.73695221       0.43103830
O       -0.50585000      -0.92431000       4.34359000       1.72571758       0.24633919       1.10291936
O       -0.03572000       4.16771000       2.39035000       0.85832058      -1.08570289       0.54238572
O        1.85681000       2.23164000       3.66192000      -0.67669541       0.41112807      -0.85469351
O        0.64059000       2.10916000       5.99483000      -0.64943184       0.68869109      -0.15055834
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.63310146 magmom=22.0007217 free_energy=-99.63983275 stress="-0.06642134233419467 -0.029761144071738535 -0.018763077209920553 -0.029761144071738535 -0.037006095632824254 -0.0005078140258929436 -0.018763077209920553 -0.0005078140258929436 -0.0704791125984704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00603000       5.31159000       0.85313000      -0.30306108       0.95670741      -1.33637154
Cr       1.98363000       0.93059000       5.17488000      -1.01614242      -0.70083748      -2.01467013
Cr       1.62719000       2.89705000       1.84842000      -0.09840132      -0.67195544      -3.33716257
Cr       0.24058000       3.56448000       4.21309000      -0.69098280      -2.08249436       0.37782788
Cr      -1.14391000      -1.84932000       6.01593000       0.27550116       0.39937118       0.12559923
Cr       1.28779000       6.87005000       3.11186000       0.96965656       0.88627597      -0.66998312
O        0.11658000       1.86019000       0.84660000       0.04434519      -0.36055014       1.61886723
O        1.66268000       4.60347000       4.80705000       1.37103987       0.88316040       2.15419823
O       -0.01934000       7.07830000       1.70558000      -1.42507928      -0.40624085      -0.47087250
O       -0.42483000      -0.87259000       4.35402000       0.20182610      -0.10125932       1.25556721
O        0.10595000       4.16769000       2.40371000       0.39958859      -0.32912853      -0.38627184
O        1.85876000       2.22980000       3.55026000      -0.60342889      -0.25560391       2.01406873
O        0.41782000       2.04834000       5.96742000       0.87513831       1.78255506       0.66920318
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75180676 magmom=22.0008974 free_energy=-99.75786805 stress="-0.047232298029797844 -0.003412382816614871 0.01836656617502429 -0.003412382816614871 -0.04355433770164274 -0.029512686202092908 0.01836656617502429 -0.029512686202092908 -0.047672933532048205" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00446000       5.28769000       0.79845000       0.40029450       0.61443016      -0.97598978
Cr       1.87965000       0.94864000       5.17036000      -0.57371012      -1.74631662       0.59641094
Cr       1.76777000       2.92452000       1.79353000      -0.15537289      -3.18126168      -1.01651732
Cr       0.14898000       3.56617000       4.19459000       1.71450795      -1.19870131       0.54714301
Cr       0.23962000       8.02131000       0.02648000       0.38565104       2.07910028       0.51509981
Cr       1.29655000       6.93293000       3.09359000      -0.15582118       0.87707590       0.25916751
O        0.24137000       1.72544000       0.96956000      -0.30141940       1.23465068       0.29687076
O        1.72546000       4.68891000       4.81715000      -0.84490023      -0.57223587       0.57510692
O        2.75346000       6.96162000       1.66184000      -0.25255296       0.37929677       1.17870164
O       -0.36627000      -0.76407000       4.53442000       0.07248191      -0.76675886      -1.37579276
O        0.32797000       4.09423000       2.29030000      -1.00537254       0.64803733       1.25681462
O        1.73453000       2.21241000       3.75934000      -0.33565094       1.42899849      -1.83028408
O        0.26580000       2.20983000       5.98601000       1.05186486       0.20368473      -0.02673128
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.3550502 magmom=22.0000062 free_energy=-99.3650178 stress="-0.07197799793284813 0.013801127074840913 0.040286089281324766 0.013801127074840913 -0.047298636764629046 -0.057295959738922694 0.040286089281324766 -0.057295959738922694 -0.050919447594525775" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01519000       5.30974000       0.70780000       0.27288744      -0.04306992       1.13419025
Cr       1.75875000       0.90764000       5.19020000      -0.07509533       0.04619052      -0.26597364
Cr       1.89995000       2.78316000       1.68204000      -2.54743918       1.50662891       2.66123429
Cr       0.11653000       3.51023000       4.20943000       1.04124490       1.24455543      -0.19492977
Cr       0.30772000       8.04187000       0.10164000       0.15188575       1.69345099       0.61068913
Cr       1.29412000       7.06221000       3.08365000      -2.04406356      -0.17157964       1.38782242
O        0.30947000       1.75931000       1.06671000       1.07210379      -1.67996955      -1.74615643
O        1.73826000       4.70097000       5.00222000      -0.75206142      -1.70814065      -0.22437569
O        2.58236000       6.82044000       1.76551000       1.79212945       1.66273480      -1.13514254
O       -0.40643000      -0.75203000       4.48575000       0.06300281      -0.14667684      -0.26784686
O        0.36689000       4.09247000       2.27624000      -0.59653083      -0.14415391       0.21913512
O        1.58010000       2.35055000       3.77722000       1.22918610      -1.40556915      -1.28871959
O        0.33217000       2.37248000       5.97717000       0.39275008      -0.85440098      -0.88992669
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.01155476 magmom=21.9978947 free_energy=-99.0222847 stress="-0.05952980249604201 -0.022751244717201656 -0.010659915091927923 -0.022751244717201656 -0.07458031771199841 -0.02468773782271883 -0.010659915091927923 -0.02468773782271883 -0.10428776168670455" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02203000       5.33975000       0.70449000       0.54098772      -2.05488296       3.42299122
Cr       1.66128000       0.87702000       5.19939000       0.67229000       0.64512704      -1.54216577
Cr       1.92525000       2.66148000       1.70558000      -0.94119120       1.67043123       0.52356222
Cr       0.14733000       3.50756000       4.20558000       1.03344728      -0.12646108      -0.67117467
Cr       0.18181000       0.04761000       0.19129000      -0.75548967      -3.98535032      -2.39547374
Cr       1.01002000      -0.91678000       3.12291000      -0.74435161      -1.01149532      -1.83841113
O        0.45014000       1.67764000       0.87753000      -0.16982217       2.64099169       1.33361220
O        1.68572000       4.45448000       5.20307000       0.18647998       2.70904022      -2.80419908
O        2.74112000       6.91557000       1.76389000      -0.27205570       1.79145282       0.02399315
O       -0.55262000      -0.76621000       4.34299000       0.99204164       0.11484148       2.18394793
O        0.22329000       4.05811000       2.26499000       0.42348633      -0.32191531      -0.00234905
O        1.66049000       2.30494000       3.55818000       0.22232163      -0.97548366       1.28321052
O        0.48404000       2.36765000       5.83818000      -1.18814424      -1.09629584       0.48245618
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.3758559 magmom=22.0000798 free_energy=-99.37609622 stress="-0.061676635957063644 -0.026896962782094795 -0.02283035953410412 -0.026896962782094795 -0.05445130912373378 -0.009150245253659865 -0.02283035953410412 -0.009150245253659865 -0.10707121989730635" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03679000       5.31157000       0.85643000      -0.31771570       0.37455317      -1.02194343
Cr       1.63487000       0.89056000       5.14592000       0.87840021       0.17688115      -0.79998166
Cr       1.89085000       2.62739000       1.76015000      -0.92862208       1.38754994      -1.02383572
Cr       0.22641000       3.50838000       4.16971000       0.71644903      -1.03506662       1.10122974
Cr       0.20858000       0.01926000       0.16351000       0.19597052       0.21178392      -2.90077096
Cr       0.89648000      -0.86090000       3.10185000       1.89302500      -0.32869176       1.07345154
O        0.44860000       1.86160000       0.80300000      -1.31430439      -1.43214845       0.96387963
O        1.74988000       4.50603000       5.09650000       0.29752849       0.22765449      -0.18225811
O       -0.08780000       7.15918000       1.69996000      -2.79392991      -0.87868632       0.14937921
O       -0.63645000      -0.76208000       4.43306000       0.94023310      -0.90699382      -0.32004907
O        0.14194000       3.97882000       2.24133000       1.47665502       0.26752313       1.61939185
O        1.83923000       2.10596000       3.55862000      -0.43965915       0.71941293       0.42773119
O        0.42224000       2.22885000       5.79434000      -0.60403016       1.21622825       0.91377579
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.93683801 magmom=21.9990457 free_energy=-99.93768443 stress="-0.04432113298129584 -0.006091844246938596 0.007892663552714849 -0.006091844246938596 -0.03754014563635805 0.0044548705288410114 0.007892663552714849 0.0044548705288410114 -0.0814860652908611" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04531000       5.30659000       0.98764000       0.41640052       0.61791619      -1.52416823
Cr       1.69861000       0.93249000       5.09269000       0.01893129      -1.25834218       1.90860851
Cr       1.80636000       2.66811000       1.75381000      -1.89575807       1.40263633       0.55223335
Cr       0.33727000       3.47341000       4.19880000       0.65475199      -0.94966632       1.93674488
Cr      -0.73766000       6.22032000       6.01775000      -0.44389724      -0.01548895       0.69715895
Cr       0.85960000      -0.84108000       3.10319000       0.97502825      -0.36970555      -0.76583821
O        0.19091000       1.83514000       0.84714000       1.14899995      -1.43640063      -0.22818854
O        1.91760000       4.56861000       4.95060000      -0.69394984      -0.84109377       0.56498090
O        2.72730000       7.18042000       1.66672000      -1.23989158      -0.40381539       0.36089146
O       -0.63080000      -0.82953000       4.42892000       0.53354680       0.53522188      -1.02255024
O        0.27715000       3.97126000       2.38779000       0.09096988      -0.09793760      -0.58099054
O        1.92362000       2.05700000       3.66604000      -0.55316074       2.22167136      -2.48837609
O        0.23530000       2.21725000       5.89359000       0.98802880       0.59500464       0.58949380
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.00946048 magmom=21.9973212 free_energy=-100.00993936 stress="-0.06002907274478687 0.02263804561190611 0.023650183755071805 0.02263804561190611 -0.05999434390822938 -0.027185398035736965 0.023650183755071805 -0.027185398035736965 -0.0516026977841668" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06989000       5.34472000       1.04429000       0.75080030       0.03736513      -1.37060213
Cr       1.80939000       0.94436000       5.12670000       0.07630235      -0.49425251       0.03319323
Cr       1.65621000       2.75420000       1.74980000       0.67090885      -0.52649080      -1.64676248
Cr       0.45936000       3.42055000       4.30723000      -0.52745807      -0.13532238      -0.63132817
Cr      -0.77396000       6.19291000       5.87120000      -0.59443405      -0.47859966       1.29783254
Cr       0.86727000      -0.84900000       3.06140000      -0.52176657      -0.21748904      -1.84861570
O        0.05977000       1.62150000       0.82490000       0.50192236       2.12374179       0.79542926
O        1.99764000       4.47106000       4.97866000      -0.69509434      -0.09259256       0.89332933
O        2.48186000       7.04408000       1.71558000       0.44556453       0.86900228      -0.82229295
O       -0.62071000      -0.78457000       4.27471000       0.02730936       0.15124411       1.37797649
O        0.38074000       3.98436000       2.41551000      -1.39977868       0.35810855       0.56979431
O        1.88758000       2.25855000       3.55712000       0.15648852      -1.30045863       1.53922636
O        1.34559000       4.11021000       0.03026000       1.10923545      -0.29425627      -0.18718008
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.0623457 magmom=21.9975062 free_energy=-100.06656137 stress="-0.06011992520019675 0.018682740867267063 0.020649401333468768 0.018682740867267063 -0.08989068092760427 -0.020150263492098513 0.020649401333468768 -0.020150263492098513 -0.06668232672541068" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11845000       5.36647000       1.02134000       1.00381509      -1.16477378      -0.85187588
Cr       1.93006000       0.92878000       5.16732000      -0.64500173       1.25824471       0.44411979
Cr       1.55383000       2.78622000       1.69337000       0.97304579      -0.00860778       1.14861639
Cr       0.52369000       3.38931000       4.36352000      -2.08059833       0.27195460      -0.58128861
Cr      -0.85731000       6.17133000       5.80823000      -0.50797975       1.31775035       1.87124242
Cr       0.84607000      -0.86803000       2.94903000      -0.98778897       0.43325400       0.70148887
O        0.05763000       1.74803000       0.81863000       0.11666329      -0.44540089       0.71164400
O        1.98079000       4.36061000       5.24296000       0.28698390       0.16294401      -1.03267312
O        2.45742000       6.99566000       1.68599000       0.39403256       1.65950428      -0.90857565
O       -0.67334000      -0.67008000       4.29170000       0.70296681      -2.05885298      -0.88373139
O        0.22794000       4.07380000       2.43676000      -0.25422731      -1.00075587       1.06456579
O        1.87692000       2.22383000       3.70890000       0.67568705      -0.32762096      -1.28621298
O        1.51862000       4.08274000       0.12464000       0.32240159      -0.09763970      -0.39731963
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.80279233 magmom=21.9960621 free_energy=-99.80778009 stress="-0.05414648581420618 -0.01132127205235524 -0.00877113674457632 -0.01132127205235524 -0.06823299601351918 0.012980067315934212 -0.00877113674457632 0.012980067315934212 -0.08939795969465691" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18492000       5.30811000       0.97291000       0.30812328      -0.19458305       1.99924749
Cr       2.03379000       0.93765000       5.21004000      -0.54166768      -0.47756978      -0.80995861
Cr       1.52264000       2.79775000       1.71503000       1.41980218       0.54281402       2.33028282
Cr       0.48119000       3.38703000       4.37242000      -0.25758570      -0.70070879      -0.47793793
Cr       2.00753000       6.21513000       5.82933000      -0.14203595       0.65472524       1.35702804
Cr       0.78575000      -0.86439000       2.87106000       1.28288028       0.60092936       1.04166203
O        0.07734000       1.88425000       0.87016000      -0.47482475      -2.30523996       0.26985040
O        2.02005000       4.31798000       5.34281000      -0.00539908       1.02096966      -2.82462901
O        2.60272000       7.13637000       1.56411000      -1.49839591       0.26031102      -0.63255429
O       -0.72556000      -0.76522000       4.22732000       0.45621436      -0.72301248       0.10573117
O        0.01111000       4.04324000       2.53960000       1.05915738      -0.09034733      -0.51504822
O        1.96280000       2.11696000       3.74562000      -0.51586950       1.34129894      -1.57440044
O        1.78410000       4.05761000       0.12403000      -1.09039890       0.07041315      -0.26927344
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.54878246 magmom=21.9999958 free_energy=-99.55027951 stress="-0.04817655165974071 -0.015606599987406334 0.0035793030341040415 -0.015606599987406334 -0.05668262224089496 0.009786058862955542 0.0035793030341040415 0.009786058862955542 -0.06549802418013165" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24234000       5.22312000       0.99789000      -0.17839614       2.65634323      -0.73887358
Cr      -0.86960000       0.91123000       5.20244000      -0.72330664      -1.30712307      -0.90499104
Cr       1.57085000       2.80992000       1.88799000       0.48080414      -1.15491820      -2.30302634
Cr       0.41560000       3.37174000       4.34180000       1.33976823       0.46428263      -0.00910653
Cr       1.67153000      -1.79908000       5.91634000       0.69139415      -0.37156519      -1.91592891
Cr       0.77483000      -0.82179000       2.84452000       0.59218386       0.22888534      -0.04167849
O        0.05531000       1.74023000       0.91865000       0.45955286       1.32664521       0.60068152
O        2.03334000       4.44234000       5.04523000      -1.15697428      -0.22352465       1.03719902
O        2.62577000       7.23745000       1.44379000      -1.80625470      -1.54382164       2.01349264
O        2.20230000      -0.92675000       4.14884000       0.89395739       0.93455150       1.09558694
O        0.02348000       3.99497000       2.47939000       1.32545215       0.21080493       0.31793897
O        1.96410000       2.16721000       3.62427000      -0.72313389      -0.70401385       1.15782831
O        1.90818000       4.09003000       0.03790000      -1.19504712      -0.51654625      -0.30912249
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.6727085 magmom=21.9994611 free_energy=-99.67450266 stress="-0.048470179380862434 -0.002295172712084553 0.012633498677501112 -0.002295172712084553 -0.04380855709587945 -0.009962023613869974 0.012633498677501112 -0.009962023613869974 -0.06120893420666247" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28155000       5.25059000       0.97392000       0.19123097       2.07095680      -1.94035175
Cr      -0.81156000       0.80303000       5.14424000       0.00137466       1.12874912       1.31008109
Cr       1.66930000       2.74586000       1.97153000       1.38348746      -0.76926025      -3.39785545
Cr       0.40373000       3.40038000       4.29736000      -0.53871995       0.94452153       1.26390048
Cr       1.54899000      -1.74107000       5.95251000       0.06743406      -2.38260238      -0.51231019
Cr       0.79957000      -0.76164000       2.83612000      -1.27628646      -0.35099556       1.27371796
O        0.11592000       1.74961000       0.95816000       0.66216034       0.36329246       0.65914220
O        1.83956000       4.56497000       4.90876000       0.56545052      -0.57612173       0.95347314
O        2.41638000       7.06849000       1.59092000       0.85293052      -0.07579441      -1.42734962
O       -0.77504000      -0.86559000       4.21394000       0.46864568      -0.24629187       0.23753069
O        0.31241000       3.99933000       2.38016000      -1.19247606      -0.61858782       1.96394674
O        1.85233000       2.10637000       3.77094000       0.32632695       0.68547926      -1.35092784
O        0.63502000       2.25507000       5.94706000      -1.51155869      -0.17334515       0.96700256
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.48189747 magmom=22.0010305 free_energy=-99.48376991 stress="-0.058224041013294016 0.013928220965337409 0.024869318752201334 0.013928220965337409 -0.058840358276435044 -0.059069165235194024 0.024869318752201334 -0.059069165235194024 -0.06237961292937624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29477000       5.34668000       0.85674000      -0.93172226       0.01454544       1.20084209
Cr      -0.77464000       0.75265000       5.15524000       0.40287379       4.53522314       1.98662032
Cr       1.83366000       2.63960000       1.87101000      -0.46261042       2.68196513       0.81485592
Cr       0.37071000       3.48510000       4.31300000      -1.01739860      -1.25596231       0.43397591
Cr       1.45101000      -1.79846000       5.95820000       0.51935578      -0.65217938       0.29719792
Cr       0.77151000      -0.72464000       2.89266000      -0.66323951      -1.04145376       0.15541433
O        0.27928000       1.80829000       0.97766000       0.56624089      -2.51562005      -0.69877667
O        1.72276000       4.59734000       5.01816000       1.44539002      -0.45747547       0.23755744
O        2.36132000       6.87532000       1.61033000       0.12230938       2.14236282      -0.26449424
O       -0.73078000      -0.79780000       4.26588000      -0.43973458      -2.86840380      -0.96842249
O        0.44928000       3.96111000       2.46905000      -0.88839054      -0.06126333      -0.86261957
O        1.82452000       2.11507000       3.83095000       0.16413298       0.71843509      -1.83542833
O        0.31007000       2.30666000       6.01664000       1.18279307      -1.24017350      -0.49672263
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.89464745 magmom=22.0005813 free_energy=-99.89923551 stress="-0.04887804569941707 -0.0060190219822236464 0.0049647179385430215 -0.0060190219822236464 -0.04876098839277234 -0.021149062125922644 0.0049647179385430215 -0.021149062125922644 -0.06959970500900221" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23221000       5.40983000       0.81597000      -0.88190564      -0.61353011       3.64031497
Cr      -0.74045000       0.84806000       5.23098000      -0.34670305      -0.60365333      -1.75029884
Cr       1.97210000       2.64317000       1.79087000      -0.78262340       1.38074816       0.11399397
Cr       0.30621000       3.50918000       4.33125000       1.06869705      -1.13821356      -1.04696156
Cr       1.61045000       6.21524000       5.97445000       0.66688241       1.31005428      -0.42482752
Cr       0.71327000      -0.75010000       2.96682000      -0.05465593      -0.80295601      -1.28629628
O        0.45667000       1.57979000       0.85897000      -0.12207273       0.63463326       0.94941562
O        1.83365000       4.48817000       5.20226000      -0.43077937      -0.33958056      -2.29554805
O        2.41514000       7.02541000       1.58106000      -0.77907938       0.93062728       0.88535701
O        2.18683000      -0.95942000       4.21100000      -0.29508091       0.61738326       1.73192916
O        0.37951000       3.94826000       2.39598000       0.02787384       0.09059265      -0.39037656
O        1.87165000       2.24567000       3.68488000      -0.19615970      -0.71713178       0.75242050
O        1.35999000       4.15749000       0.02594000       2.12560682      -0.74897352      -0.87912242
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.93955761 magmom=21.993586 free_energy=-99.94380218 stress="-0.05389866085855196 -0.044054806245241655 -0.01918559974034044 -0.044054806245241655 -0.03696560414196253 -0.00040869663899666857 -0.01918559974034044 -0.00040869663899666857 -0.05634426787786018" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11354000       5.39940000       0.94179000       0.33718800       0.25334898      -0.43675535
Cr      -0.71996000       0.86856000       5.21961000      -0.00786096      -0.29432245      -0.99369654
Cr       2.04988000       2.70083000       1.73144000      -1.90409068      -1.11185900      -0.38515251
Cr       0.31427000       3.45457000       4.27091000       1.56912088      -0.27109048      -0.09438897
Cr       1.64590000       6.20448000       5.96870000       0.30881459       0.28104726      -0.22967835
Cr       0.66023000      -0.81949000       2.99851000      -0.34118908       0.08888128       0.24524192
O        0.54049000       1.50510000       0.80756000      -0.00550601       2.07558909       1.23252448
O        1.85173000       4.37929000       5.14414000      -0.60659018       1.33864382      -0.06738543
O        2.38262000       7.31140000       1.70017000      -0.50086809      -1.45258808      -0.25620921
O        2.04897000      -0.94658000       4.35199000       0.65868667       0.53357042      -0.50851807
O        0.31371000       3.98557000       2.24843000       1.32850722       0.04386819       1.91350945
O        1.89263000       2.27211000       3.69359000      -0.40496574      -1.10276864      -0.83485441
O        0.42349000       2.33560000       5.96940000      -0.43124661      -0.38232040       0.41536300
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.64330081 magmom=22.0022902 free_energy=-99.64820464 stress="-0.04931954128786648 -0.0293114015835226 -0.017083765581558035 -0.0293114015835226 -0.0557269895159364 -0.006619133784828725 -0.017083765581558035 -0.006619133784828725 -0.052123185587554924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00672000       5.35650000       1.04902000       0.60627120       1.84326356      -1.47723316
Cr      -0.71389000       0.84212000       5.14940000       0.48368291       2.79179368       0.28836813
Cr       2.03788000       2.70772000       1.66208000      -0.94324344       1.31550274       1.50279153
Cr       0.40914000       3.37720000       4.19322000      -0.30736062       0.90042110       1.98887186
Cr       1.73195000       6.23211000       5.95719000       0.20797750       0.41739982       1.50419978
Cr       0.59428000      -0.87998000       3.04766000      -0.16322563       0.35543530       0.04055613
O        0.53333000       1.78243000       0.85875000      -0.29071108      -1.39416047      -0.15466651
O        1.75868000       4.51786000       5.10627000       0.73374798      -1.16277552      -0.41405616
O        2.31532000       7.32877000       1.78700000      -0.13573704      -0.74920833      -1.50389178
O        2.00771000      -0.82228000       4.38356000       0.48348882      -1.56979551      -0.86926463
O        0.42811000       4.02819000       2.35501000       0.13736377      -1.03010098       0.37754015
O        1.87849000       2.13280000       3.65487000       0.48723943       0.13733694      -1.01002560
O        0.56839000       2.43591000       6.00506000      -1.29949379      -1.85511233      -0.27318974
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65564846 magmom=22.0022382 free_energy=-99.65591089 stress="-0.05363877886764381 -0.020792393127897525 0.0035818742050639217 -0.020792393127897525 -0.04744333162972091 -0.004287761443285692 0.0035818742050639217 -0.004287761443285692 -0.06033841882034783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.87793000       5.36931000       1.06610000       2.04140953       0.63063901      -0.80833668
Cr      -0.71047000       0.91406000       5.06680000       0.35308250       0.41244996       0.46436290
Cr       1.96027000       2.76199000       1.67342000      -0.52862557       1.49056243       0.83084930
Cr       0.51403000       3.33729000       4.22235000      -0.73376878       0.47157761       1.87954744
Cr       1.67098000      -1.82315000       6.00750000       0.12890881      -0.26067826       0.51089398
Cr       0.51634000      -0.91687000       3.09476000       1.42491127       0.00346510      -2.38075843
O        0.42673000       1.91314000       0.79446000       0.18322660      -2.07437624       0.09004302
O        1.78969000       4.53879000       5.09487000       0.82311901      -1.41242538      -0.19732347
O        2.26848000       7.11641000       1.65826000      -0.34258679       0.89860286       0.38858667
O        2.06222000      -0.87092000       4.28523000      -1.02401800      -0.23501592       1.74258646
O        0.54735000       3.96626000       2.46591000      -1.06115845       0.56737674      -1.21793775
O        1.98221000       2.02069000       3.50765000       0.00294795       1.19398768       0.01003974
O        1.62426000       4.23172000       0.08688000      -1.26744809      -1.68616560      -1.31255317
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.41044681 magmom=21.9988798 free_energy=-99.41064843 stress="-0.039351159061676404 -0.020810550920005038 0.002805047940192737 -0.020810550920005038 -0.09336181133719862 0.000587511612502491 0.002805047940192737 0.000587511612502491 -0.05854508144873812" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.84996000       5.37203000       0.99742000       2.35225522      -1.36076937      -1.15650798
Cr      -0.71830000       0.99114000       4.97800000      -0.42641314      -3.19911008       1.59138327
Cr       1.84675000       2.87577000       1.73164000       0.34568640      -1.41922225      -2.06292954
Cr       0.58941000       3.33399000       4.34278000      -1.07858974       0.51925003      -1.24583362
Cr      -0.00402000       0.05629000       0.05706000      -0.66108735      -2.93330269      -0.48922242
Cr       0.68146000       7.14606000       3.04202000       0.68386731      -0.24832825      -0.41775149
O        0.28801000       1.76866000       0.67234000       0.36730330       2.75815545       2.43509327
O        2.00041000       4.32865000       5.14924000       0.40892626       0.93971145       0.25881144
O        2.20941000       7.00834000       1.59372000      -0.74163044       2.26118785       1.07476436
O        2.01093000      -0.94951000       4.35251000      -0.24602344       0.66199814      -1.19914003
O        0.42863000       4.00703000       2.38799000      -0.84423943       0.49296824       1.67430710
O        2.15274000       2.11648000       3.46675000      -0.75250878       0.89821987       0.49604692
O        1.39907000       4.07825000       0.14010000       0.59245384       0.62924162      -0.95902129
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.6238846 magmom=22.0000081 free_energy=-99.62447116 stress="-0.05475873391923109 -0.02078463231686173 0.015690197474887535 -0.02078463231686173 -0.06795774918724866 0.016675700271209452 0.015690197474887535 0.016675700271209452 -0.05873224221248105" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93075000       5.30371000       0.88085000       0.40579936       0.84336111       2.56674631
Cr      -0.75315000       0.89677000       4.93980000       0.07280459      -0.68885705       1.95277671
Cr       1.75281000       2.90235000       1.70305000      -0.82120433       0.14250283       0.92666392
Cr       0.61887000       3.37099000       4.37429000      -0.04619692       1.21423769      -0.83255690
Cr       0.12285000      -0.01873000       0.08811000      -0.34640318       0.34382228      -0.16142261
Cr       0.68894000       7.10244000       2.98401000      -0.63222312      -0.06246041       0.25624167
O        0.18515000       1.91621000       0.83699000       0.53200100      -0.94739754      -0.28459202
O       -0.79577000       4.30777000       5.30276000      -1.07211864       2.46376444      -1.77901122
O        2.15440000       7.19092000       1.67709000       0.63563534      -0.50229526      -1.63819499
O        1.94330000      -0.90170000       4.28299000       0.43654403      -0.74654839       0.66884281
O        0.15736000       4.14259000       2.48333000       1.08626564      -0.39183033       0.26475516
O        2.16085000       2.30793000       3.63199000      -1.36466102      -0.92299727      -0.98326648
O        1.31836000       4.10183000       0.12868000       1.11375724      -0.74530210      -0.95698236
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56852957 magmom=21.9997304 free_energy=-99.57235831 stress="-0.04055172694228844 -0.005386280474927275 0.011707956180657309 -0.005386280474927275 -0.06456720580428033 -0.007090366007417902 0.011707956180657309 -0.007090366007417902 -0.04517674333798393" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04110000       5.27360000       0.87989000       0.13349107       2.27621210       0.19966470
Cr      -0.79399000       0.76582000       4.97204000       0.41674809       1.99084009       1.77230880
Cr       1.64623000       2.89929000       1.72335000       0.57331879       0.51781444       1.19609109
Cr       0.62708000       3.47155000       4.32826000      -2.08428059       1.47337129       0.95892978
Cr       0.39132000       8.05802000       0.09261000      -0.31748556       2.83913859       0.83980429
Cr       0.67716000       7.07462000       2.96341000       0.72968844       0.07358595      -0.29564385
O        0.17859000       1.92622000       0.90687000      -0.18213640      -1.03937812      -0.49062859
O       -0.84832000       4.58805000       5.28056000      -0.35702634      -3.43827538      -2.08826943
O        2.24276000       7.22447000       1.57762000      -0.47164283      -0.89271577       0.11479723
O        1.99027000      -0.95948000       4.26541000      -0.15947239      -1.03378588       0.19316141
O        0.07671000       4.23334000       2.51635000       0.83135624      -1.26644286       0.06794289
O        1.97343000       2.27891000       3.73878000       0.56474792      -0.50675055      -1.70572009
O        1.43261000       4.14723000       0.09246000       0.32269355      -0.99361391      -0.76243824
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65978054 magmom=22.0003485 free_energy=-99.66192945 stress="-0.039086620780130164 -0.001987868346505834 0.013400658748396589 -0.001987868346505834 -0.040091217588686966 -0.006157468428839029 0.013400658748396589 -0.006157468428839029 -0.047915835597243536" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14496000       5.33531000       0.89430000       0.55561918       0.53807569      -1.36999077
Cr      -0.83936000       0.72113000       5.05995000       0.08368140       2.37615037      -0.24563915
Cr       1.56971000       2.88721000       1.81598000       1.46865643      -0.84641843      -1.02794845
Cr       0.53167000       3.62402000       4.29989000      -1.17850677      -3.11723404      -0.12809224
Cr       0.23272000       0.04879000       0.10602000      -0.65531963      -2.86888001      -0.63216430
Cr       0.69985000       7.06448000       2.95642000       1.55147063       0.13183121       0.10412534
O        0.18009000       1.77416000       0.83692000      -0.16275332       1.88879376       1.66300042
O        2.01141000       4.48444000       5.07308000       0.45162551       1.19596127       1.37097608
O        2.33365000       7.07347000       1.49288000      -0.97323790       0.28995749       0.86592754
O        2.07198000      -1.11960000       4.27961000      -0.41575454       1.00754850      -0.39093418
O        0.15414000       4.14637000       2.42773000       0.14005261      -0.59843210       0.57795751
O        1.85262000       2.14686000       3.66186000       0.08533437       0.95960365      -0.66441730
O        1.61400000       4.15879000       0.04379000      -0.95086798      -0.95695738      -0.12280050
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.71955922 magmom=22.0011575 free_energy=-99.72253499 stress="-0.05577110072008361 0.016091119814947184 0.01732848998017285 0.016091119814947184 -0.035973037960834536 -0.006815890107388591 0.01732848998017285 -0.006815890107388591 -0.0788205525162036" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26375000       5.39297000       0.81975000       0.42969958      -1.96851442       0.60672776
Cr      -0.90969000       0.79126000       5.12781000      -0.21912805       2.11680409      -0.67360844
Cr       1.58558000       2.79838000       1.85926000       2.19509221       0.21944542      -3.26433348
Cr       0.35940000       3.62501000       4.25119000       0.69471930      -2.64209498       0.06664726
Cr       0.20545000       0.05137000       0.08181000      -0.86728502      -1.44996427      -0.06770400
Cr       0.80890000       7.06868000       2.98170000       0.57972545      -0.06774748      -0.40604625
O        0.16775000       1.84525000       0.91152000      -0.18467348      -0.91924439       0.26647216
O        1.93113000       4.48635000       5.15685000      -0.31730266       1.46892770      -0.49673229
O        2.35054000       6.91898000       1.57994000      -0.72637932       1.42979110       0.22407368
O        2.12303000      -1.04754000       4.23930000       0.11008709       0.79153360       1.19356864
O        0.24052000       4.00135000       2.32924000      -1.13975178       1.65135139       0.97176519
O        1.78180000       2.14819000       3.57394000       0.30424088       0.11318649       2.00920372
O        1.70810000       4.16001000       0.06096000      -0.85904420      -0.74347422      -0.43003395
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.63150137 magmom=22.0013622 free_energy=-99.63477245 stress="-0.06022668904119863 -0.0017493893080280307 0.013873974449147074 -0.0017493893080280307 -0.06527256459264894 -0.03209784316058845 0.013873974449147074 -0.03209784316058845 -0.0791342899615478" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.36357000       5.34344000       0.74976000      -1.05281848       0.55778198       2.82596020
Cr       1.97186000       0.95431000       5.16030000      -0.42673619       0.13840066       1.11168924
Cr       1.71066000       2.69711000       1.76857000      -0.84501211       2.53161764       0.68769054
Cr       0.19382000       3.48145000       4.19057000       1.61711602       1.21515308       1.39137151
Cr       0.10476000       0.00495000       0.03820000      -0.28730131       2.08990055       1.26601554
Cr       0.95556000       7.07701000       3.02238000      -1.20629199       0.14034953       0.90320361
O        0.16662000       1.81461000       0.96398000       0.85621229      -1.47519303      -0.90956396
O        1.86359000       4.64303000       5.24832000      -0.32777681      -2.84653360      -3.06346229
O        2.37682000       6.91012000       1.74213000       1.17466146      -0.00162568      -1.75586065
O       -0.78429000      -0.74872000       4.35465000       0.82434403      -1.19099738      -0.07310343
O        0.19229000       4.06323000       2.34258000       0.36433378      -0.55965306      -0.11330054
O        1.77126000       2.24002000       3.76038000      -0.53992132       0.15405762      -1.80555523
O        1.73507000       4.14085000       0.06278000      -0.15080938      -0.75325830      -0.46508455
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97823388 magmom=22.0005054 free_energy=-99.98093546 stress="-0.06970280774303009 0.007509283866589299 0.015885105193516005 0.007509283866589299 -0.06859326609392502 -0.04466149175505433 0.015885105193516005 -0.04466149175505433 -0.06584533047756229" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.35492000       5.31348000       0.79810000      -0.29536597       0.98996592       1.06451822
Cr       1.87808000       1.06129000       5.20947000       0.29392764      -1.84653508      -0.59656047
Cr       1.78361000       2.71091000       1.71814000      -0.91549109       0.77359087       0.63097505
Cr       0.15084000       3.44152000       4.20070000       2.96968549       0.66985078      -0.14751709
Cr       2.98307000       0.02892000       0.02096000      -0.30240327      -1.93338764      -0.81473354
Cr       1.02771000       7.09703000       3.08617000       0.61726686       0.30785223       0.19750255
O        0.25763000       1.66858000       0.87212000       0.08517252       2.02138000       1.55200096
O        1.82962000       4.45379000       5.03223000      -1.21754213       1.33910899       0.87752663
O        2.60424000       6.88929000       1.72268000      -0.71384651       0.74146171      -0.54081649
O       -0.66036000      -0.63646000       4.43327000       0.43892969      -1.50633008      -0.94962644
O        0.21447000       4.02849000       2.33323000       0.39419078      -0.73950264      -0.03473765
O        1.70991000       2.28063000       3.70665000      -0.32028869      -0.99473582      -1.56663206
O        1.72724000       4.07048000       0.03747000      -1.03423533       0.17728077       0.32810033
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.10608702 magmom=21.9950711 free_energy=-100.10772385 stress="-0.07985517322435767 -0.00038980695504603886 -0.0012279085179870328 -0.00038980695504603886 -0.050946023884210205 -0.029377468107416288 -0.0012279085179870328 -0.029377468107416288 -0.06877564774661328" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27577000       5.32100000       0.88741000       0.14377829      -0.31481823      -0.44844455
Cr       1.83920000       1.03794000       5.21164000       0.21994906      -1.59537453      -1.58323961
Cr       1.79907000       2.75204000       1.71433000      -0.76643373       0.33277281      -0.19994092
Cr       0.25230000       3.47461000       4.20165000      -0.44150984      -1.41726332      -0.64943933
Cr       1.93409000       6.23288000       6.00485000       0.51569129       0.30074371       0.15730726
Cr       0.91669000      -0.96250000       3.14071000       0.73062476       0.09454565      -1.92003723
O        0.29067000       1.80691000       0.89887000      -0.46281446      -1.34660081      -0.54138627
O        1.69915000       4.42051000       5.03618000       0.97366099       0.96795385       0.48824052
O        2.80574000       6.95913000       1.67240000      -1.78176976       1.52562416       0.60328003
O       -0.59707000      -0.73371000       4.34665000       0.16959481      -0.27889513       1.71686498
O        0.30119000       3.91791000       2.27823000      -0.30664039       1.09769939       1.28019177
O        1.64115000       2.13063000       3.50883000       0.59784109       0.32387635       1.61420722
O        1.58744000       4.04707000       0.05563000       0.40802790       0.30973612      -0.51760388
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05430355 magmom=22.0012178 free_energy=-100.06039166 stress="-0.03982160308152713 -0.0020700265544656236 -0.008108176733669637 -0.0020700265544656236 -0.05024045158005591 0.003431208025776231 -0.008108176733669637 0.003431208025776231 -0.08291389101887461" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13914000       5.32996000       0.96626000       0.09474231       1.01743006      -1.12483047
Cr       1.85016000       0.89981000       5.12687000      -0.21142426       0.28739330       0.30614408
Cr       1.77188000       2.79098000       1.71753000      -0.93260281      -0.47284966      -0.47739577
Cr       0.36787000       3.46873000       4.17717000      -0.92372557      -1.19592601       2.58134050
Cr       1.87654000       6.19263000       5.98334000       0.58809513       2.32569999       1.13946469
Cr       1.04193000      -0.89884000       3.09571000      -0.40627173       0.14615028      -1.00696886
O        0.17161000       1.82659000       0.79093000       0.39711806      -0.77798059       1.33503011
O        1.73451000       4.50419000       5.20876000       0.62265824      -2.16204650      -1.70622172
O        2.82195000       7.18924000       1.73840000      -1.23415989      -0.68614059       0.25030263
O       -0.58387000      -0.83183000       4.44300000       1.45148108      -0.80230557      -0.36699931
O        0.31001000       4.00949000       2.35776000      -0.44038886      -0.08096178       0.40139126
O        1.70890000       2.02012000       3.59980000       0.34694142       2.19545908      -1.32011371
O        0.31925000       2.20622000       5.98487000       0.64753688       0.20607801      -0.01114342
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.8556794 magmom=21.9967375 free_energy=-99.85680614 stress="-0.04847878491774332 -0.0007799962025260381 0.02727438442971443 -0.0007799962025260381 -0.04439960445464516 0.013346157341456572 0.02727438442971443 0.013346157341456572 -0.06386975550729494" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02592000       5.39258000       1.00022000       0.51236434      -0.35960403      -0.67091152
Cr       1.89314000       0.76365000       5.04232000      -0.34418596       2.08078786       0.47880717
Cr       1.69233000       2.80569000       1.70522000      -0.84125454       0.75399132       0.13930523
Cr       0.44470000       3.41413000       4.27820000      -0.84777276      -0.24254996       0.92004693
Cr       1.85982000       6.22105000       6.02121000       0.29106361      -0.77587627      -0.39920514
Cr       1.15388000      -0.81992000       2.98349000      -2.85074806      -0.74705068       2.63269257
O        0.03006000       1.73599000       0.78472000       0.76023746       1.10386061       1.25395285
O        1.95205000       4.34380000       5.23614000      -0.66642596       1.25153254      -0.58908266
O        2.72579000       7.29469000       1.82291000       1.90427289      -0.62298285      -2.66540448
O       -0.45865000      -0.97674000       4.46412000       0.87339602      -0.19936514      -1.27723662
O        0.19417000       4.13916000       2.45645000       0.23266166      -1.13812771      -0.30139859
O        1.87056000       2.21607000       3.62317000       0.04283890      -0.49791443      -1.02623334
O        0.26453000       2.19085000       5.85373000       0.93355240      -0.60670127       1.50466760
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.72358753 magmom=21.9990473 free_energy=-99.72365195 stress="-0.038831405840221836 -0.013133124124288808 0.01097075659562639 -0.013133124124288808 -0.06440211899264783 0.009594710171419324 0.01097075659562639 0.009594710171419324 -0.057103567504509685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.84486000       5.44175000       1.01238000       0.24385144      -2.14632535      -0.74972771
Cr       1.95175000       0.75309000       5.00070000      -0.54089777       0.95686588       0.62734572
Cr       1.57685000       2.85259000       1.71163000       0.14478340       0.64685029      -0.13483393
Cr       0.47580000       3.35467000       4.40954000      -0.40618607       0.37471176      -1.62433246
Cr       3.03345000       8.09383000       0.01894000       0.96242567       1.12940982      -2.73957374
Cr       1.14820000      -0.79504000       2.96472000       0.21529418      -0.79810034      -0.38344725
O        0.00404000       1.79910000       0.87851000       0.63728175      -0.29857652      -0.27923358
O        2.00367000       4.35723000       5.23724000      -0.79807790       0.58541597      -0.09354533
O        2.86337000       7.23437000       1.62860000      -0.71625738       0.08234515       2.46615028
O       -0.32337000      -1.04863000       4.27015000      -0.51787219       0.53165870       0.97465087
O        0.10335000       4.09292000       2.39114000       0.48359059      -0.25737748       0.61435337
O        1.98090000       2.32128000       3.55289000      -1.02869502      -1.91552756       1.00339879
O        0.34732000       1.98278000       5.92711000       1.32075928       1.10864966       0.31879499
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.09954006 magmom=21.9955503 free_energy=-99.11102151 stress="-0.075085366349892 0.0011262815513429318 -0.0124919092565503 0.0011262815513429318 -0.08671038734832599 0.014285752970587848 -0.0124919092565503 0.014285752970587848 -0.08379578370265034" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.76799000       5.40952000       1.02267000      -0.06546242      -0.83776189      -1.24909650
Cr       2.02220000       0.82575000       5.00828000       0.14872059      -1.44834059       2.06450551
Cr       1.47851000       2.91386000       1.73757000       2.05174762      -2.96036457      -0.62495171
Cr       0.47144000       3.33673000       4.43775000      -1.70904751       0.50364344      -1.12819908
Cr       1.79300000      -1.82065000       5.96231000       0.55107059       0.51182036       0.18237432
Cr       1.13809000      -0.83632000       2.94596000       1.06696795      -0.04923754       0.29750110
O        0.08128000       1.81872000       0.82565000      -0.03418521      -0.70720148       0.60481585
O        1.84837000       4.46471000       5.28376000       0.55728958      -1.13177920      -0.81503586
O       -0.05330000       7.18036000       1.70070000      -1.50092621       0.81168516      -1.01720198
O       -0.37146000      -0.90885000       4.20414000       0.17780411      -0.14130245       1.78915932
O        0.04818000       4.01598000       2.30297000      -0.28853449       0.66392360       1.90391247
O        1.88021000       2.10178000       3.69258000      -0.11414692       1.98863936      -2.03939973
O        0.61997000       1.77740000       5.95884000      -0.84129767       2.79627579       0.03161630
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58395098 magmom=21.9994722 free_energy=-99.58716632 stress="-0.05787073647579717 -0.014570598114422318 0.011896499713298026 -0.014570598114422318 -0.09236020029184537 -0.01978519583825399 0.011896499713298026 -0.01978519583825399 -0.07312890830443955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71044000       5.34539000       0.99913000       0.28965287       0.73480095      -0.06590698
Cr      -0.87679000       0.86323000       5.13078000      -0.86479118       1.54638071      -0.44907853
Cr       1.47701000       2.83563000       1.74361000       1.45443276      -0.89354290       0.27597850
Cr       0.35636000       3.36577000       4.38709000      -1.62295807      -0.57693824      -1.04256993
Cr      -1.03730000      -1.76557000       5.88570000      -0.79245979      -3.07194047       1.31854733
Cr       1.36146000       7.19437000       2.92146000      -1.87153842       0.63649617       1.38764234
O        0.17398000       1.72674000       0.80269000      -0.54759732       1.43300219       1.83635956
O        1.74998000       4.37479000       5.24045000       1.07238255       0.79072167      -0.42912574
O        2.78525000       7.23051000       1.68194000       1.20122723      -0.15934003      -1.22498050
O       -0.46838000      -0.75349000       4.36988000       2.03235043      -2.19391738      -2.43246255
O       -0.04845000       4.01866000       2.46095000       0.93374540       0.03891745       0.21122512
O        1.71726000       2.13784000       3.63738000       0.39190992       0.45329006      -0.79013296
O        0.79091000       2.00842000       5.92732000      -1.67635638       1.26206983       1.40450432
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.801571 magmom=22.0013223 free_energy=-99.80157103 stress="-0.054396493943647 -0.03299217728792364 0.0035613503504694256 -0.03299217728792364 -0.07144696150468258 -0.009593215829304405 0.0035613503504694256 -0.009593215829304405 -0.07324563588464017" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.70032000       5.36324000       1.00283000       0.98249491       0.75076673       0.10525988
Cr      -0.81708000       0.93337000       5.24815000      -1.49716714      -0.02809350      -2.17483860
Cr       1.56239000       2.72098000       1.77244000       1.04772647       2.32092723      -0.53274301
Cr       0.16927000       3.40146000       4.28770000       1.40737057      -0.31471125       0.42874179
Cr      -0.72546000       6.25412000       5.88911000      -0.50443051      -0.85122655       0.56685222
Cr       1.32143000       7.15484000       2.93275000      -0.62756931       0.73162065      -0.35750894
O        0.16432000       1.79629000       0.91200000      -0.72121162      -0.87676710      -0.21512927
O        1.80986000       4.37331000       5.17885000      -0.96181854       1.09804472      -0.23518463
O        2.76884000       7.20477000       1.53217000       0.58986763       0.92527083       1.35838846
O       -0.38693000      -0.82080000       4.25705000       0.30003871       0.11206529       0.57346433
O       -0.02052000       4.05045000       2.51590000       0.59632602       0.03871538      -1.67482091
O        1.64537000       2.24042000       3.52600000       0.41959729      -1.70116173       2.56356006
O        0.63334000       2.25984000       5.98679000      -1.03122450      -2.20545069      -0.40604137
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.44707669 magmom=21.9987705 free_energy=-99.45651228 stress="-0.06385170297823883 -0.026307676402713864 -0.005181145038713076 -0.026307676402713864 -0.06550805831107032 -0.017101788794245773 -0.005181145038713076 -0.017101788794245773 -0.06685364921659953" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.75690000       5.43084000       1.01394000      -0.27118299      -1.33102472      -2.54920904
Cr      -0.83803000       0.97653000       5.24999000      -1.84250248      -2.72722829      -1.28300523
Cr       1.66930000       2.71271000       1.79983000      -1.04932031       0.69011475      -0.61854814
Cr       0.07592000       3.43243000       4.21526000       1.86668699       0.13661509       1.13042556
Cr      -0.67227000       6.14514000       5.92719000       0.04175314       2.28731058      -0.06685650
Cr       1.26368000       7.15986000       2.92921000       1.54890783       0.71310371       0.71090190
O        0.10738000       1.77095000       0.89473000       1.13270977      -0.83247973       0.03320490
O        1.74809000       4.50517000       5.13813000      -1.19216841      -1.07232482      -0.63309384
O        2.85589000       7.20291000       1.61467000      -0.80169660       0.90194079       0.15768121
O       -0.36541000      -0.84883000       4.21012000      -0.88896210       0.01005158       1.75513694
O        0.10100000       4.06887000       2.28572000       0.26684045      -1.30987915       2.03019435
O        1.67701000       2.11706000       3.76203000      -0.24514819       1.00921422      -1.87122266
O        0.34533000       2.19225000       5.99539000       1.43408289       1.52458599       1.20439055
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.02887212 magmom=22.0031774 free_energy=-100.03283697 stress="-0.04569501380156452 -0.0360698245560119 -0.010457098132935133 -0.0360698245560119 -0.05205889222023031 -0.01925334561716256 -0.010457098132935133 -0.01925334561716256 -0.058354618377414784" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.82813000       5.43850000       0.91884000      -0.06979885      -1.33226636      -0.36282252
Cr       2.03297000       0.88771000       5.18720000      -0.37571902       0.19721398       0.36800812
Cr       1.72447000       2.73536000       1.78890000      -0.53321596      -1.00641485      -1.61756265
Cr       0.08932000       3.47694000       4.21021000       0.76801547      -0.87649235       1.50556143
Cr      -0.65261000       6.14596000       5.96217000      -0.68030238       0.35957633       0.39169391
Cr       1.08248000      -0.89656000       2.97562000       0.06064985       0.30759233       1.72652862
O        0.25223000       1.65603000       0.82271000       0.03034264       1.29336063       1.63747273
O        1.54066000       4.49772000       5.07285000       0.82684734       0.29072386       0.02038351
O        2.82659000       7.23630000       1.71874000      -0.53735621      -0.19786137      -0.93652540
O       -0.50925000      -0.82514000       4.41107000       0.99563924      -0.73453578      -1.84543057
O        0.21137000       3.91468000       2.30900000      -0.40931288       1.12902778       0.96657024
O        1.71712000       2.16210000       3.74463000      -0.65700410       0.54424115      -1.45535645
O        1.40475000       4.12792000       0.10016000       0.58121487       0.02583463      -0.39852097
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.41947853 magmom=22.0005533 free_energy=-99.42380793 stress="-0.06836986284028045 -0.041092416394845455 -0.020862356188489455 -0.041092416394845455 -0.05683172067792041 -0.023383732163869058 -0.020862356188489455 -0.023383732163869058 -0.07325116357733336" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.91566000       5.37701000       0.78486000       0.07334923       0.09150098       2.39445827
Cr       1.86546000       0.78814000       5.13851000      -0.10923296       2.82421701       0.44526271
Cr       1.76167000       2.71892000       1.70432000       0.89405188       1.92535982       1.16582165
Cr       0.14271000       3.48803000       4.27301000      -0.19845197      -1.38857741      -0.35054330
Cr       0.45015000       8.06555000       0.00249000      -0.63960895      -0.77406224       0.66126435
Cr       1.09285000      -0.83141000       3.10920000      -2.41815099      -0.89378110      -3.01320023
O        0.42245000       1.72871000       0.88694000      -1.93122970      -0.52834313      -0.56283417
O        1.54622000       4.51618000       5.09625000       1.39140156       0.69697468      -0.08588290
O        2.72787000       7.13634000       1.68896000       0.51955398       0.51358597       0.38451303
O       -0.54488000      -0.86434000       4.37468000       2.40555710      -0.56414576       0.47608595
O        0.22765000       3.90245000       2.44086000      -0.18313838       1.50867031      -1.88381214
O        1.69122000       2.26777000       3.56631000      -0.10059049      -1.62638829       2.11450659
O        1.44884000       4.22015000       0.15235000       0.29648969      -1.78501084      -1.74563979
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.69307351 magmom=22.0008133 free_energy=-99.70560696 stress="-0.05302988785816641 -0.007173518899721047 0.023496844811780195 -0.007173518899721047 -0.03988099717002187 -0.009284012921479774 0.023496844811780195 -0.009284012921479774 -0.07804141184981646" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02943000       5.31086000       0.76470000       0.27162615       0.28565016       1.33314394
Cr       1.71164000       0.81706000       5.10501000       0.59775643       0.24922581       0.35103811
Cr       1.83187000       2.76362000       1.68578000      -1.96419605       1.42080532       1.64536125
Cr       0.19636000       3.43351000       4.29200000       1.19952091       0.53239631      -1.31715041
Cr       0.14502000       0.01845000       0.10281000       0.12187014      -0.84512672      -0.45028249
Cr       1.00434000      -0.82050000       3.11419000       1.58560508      -1.51654430      -2.80135909
O        0.26039000       1.79765000       0.85490000       0.52273718      -0.16777269       0.20505835
O        1.89303000       4.57042000       5.18382000      -1.03156032      -0.87480722      -1.26916064
O        2.74336000       6.98733000       1.70528000      -0.41496042       1.43145557       0.40045914
O       -0.37807000      -0.95209000       4.34447000      -1.78875520       1.06101968       2.21563061
O        0.18013000       4.13251000       2.28612000       0.49422229      -1.63413040       1.28424610
O        1.66984000       2.15473000       3.71503000       0.43358845       0.83514557      -1.47238889
O        0.41794000       2.30097000       5.96961000      -0.02745464      -0.77731707      -0.12459597
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.93260558 magmom=21.9992615 free_energy=-99.93416761 stress="-0.06306495057301988 0.022065677829169333 0.022990910029386948 0.022065677829169333 -0.07632062526848227 -0.014502278930020948 0.022990910029386948 -0.014502278930020948 -0.07919293513760403" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13178000       5.29937000       0.82439000       0.26953394       0.40657176      -0.57332920
Cr       1.63772000       0.86697000       5.09157000       1.27475148      -1.62162735      -0.67218809
Cr       1.81026000       2.85832000       1.75917000      -2.43029372      -0.50867857      -0.60328786
Cr       0.30031000       3.40443000       4.23300000       1.26624284       0.33108987       0.17012429
Cr       0.04103000       0.01994000       0.16652000       0.25887100      -0.58082420      -1.70769076
Cr       0.96736000      -0.90566000       3.00348000       1.37802093      -0.49567052       2.41446976
O        0.10223000       1.82625000       0.81308000       0.89326871       0.48684452       1.76108002
O        2.06604000       4.48723000       5.16584000      -1.71380187       0.35945423      -0.26166193
O        2.75645000       7.00323000       1.75609000      -1.49050506       0.45120651      -0.73218114
O       -0.48291000      -0.83428000       4.52216000       0.19965456       0.01678496      -1.52014748
O        0.20148000       4.08519000       2.29679000       0.86785057      -0.66277953       1.68411231
O        1.75061000       2.18082000       3.65235000       0.62887040       0.64165144      -1.82561433
O        0.49088000       2.17685000       5.80861000      -1.40246377       1.17597688       1.86631442
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.34335325 magmom=22.0003637 free_energy=-100.34335366 stress="-0.06447562824154775 0.024804907676256115 0.017830967902736732 0.024804907676256115 -0.06580065961601629 -0.004416263411999477 0.017830967902736732 -0.004416263411999477 -0.07677554416477478" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22687000       5.33261000       0.86589000       0.14474570      -0.61032290       0.16195223
Cr       1.65948000       0.86976000       5.08591000      -0.26541180       1.31052123       0.31530313
Cr       1.68184000       2.90753000       1.77132000       0.57450821      -0.66095269      -2.90699935
Cr       0.44113000       3.41059000       4.20580000      -0.64314401      -0.29385834       2.58038086
Cr       2.95996000       0.00241000       0.13550000       0.31398959       0.92780822      -1.39944546
Cr       1.18537000       7.08248000       2.99990000      -0.99704855       0.41740927       1.28181637
O        0.10452000       1.88623000       0.93617000       0.45143066      -0.84419132      -0.18756809
O        1.92928000       4.41833000       5.16225000       0.07482576       0.55598995      -0.85534716
O        2.66112000       7.03514000       1.71158000      -0.17326394      -0.05846956      -0.11615316
O       -0.64245000      -0.72835000       4.40840000       1.56959106      -2.26320438      -0.51139767
O        0.30597000       4.00061000       2.44814000      -1.11509614       2.56635005      -1.27824281
O        1.90095000       2.25406000       3.46372000      -0.26232323      -1.31076187       2.69315298
O        0.35285000       2.18335000       5.92954000       0.32719669       0.26368234       0.22254813
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.98730967 magmom=21.990258 free_energy=-99.99112131 stress="-0.05823833266485273 -0.0035703582399946106 -0.005844417262389254 -0.0035703582399946106 -0.04816281231308303 -0.007646366880502168 -0.005844417262389254 -0.007646366880502168 -0.06632833810603062" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29211000       5.37003000       0.90177000      -0.34900662       1.05184081      -1.25219755
Cr       1.72852000       0.91030000       5.10319000       0.30173764      -1.20079588       0.35924158
Cr       1.59018000       2.89401000       1.67233000       1.11493513       0.04584137       1.74872213
Cr       0.52393000       3.42638000       4.28692000      -2.44094041      -0.34512270      -0.60070415
Cr       2.91097000       0.02613000       0.03523000       0.25545232      -0.33096036      -0.39064247
Cr       1.16069000       7.00245000       3.04413000      -1.56071754       0.23979698      -1.58739140
O        0.12588000       1.83743000       0.92521000      -0.70667266      -0.35055841      -0.34621785
O        1.84979000       4.41962000       5.14620000       1.68357795       1.12425597       0.03791786
O        2.64406000       6.99685000       1.66605000      -0.55801157       1.10752690       0.19497880
O       -0.63968000      -0.86486000       4.25354000       1.33951296       0.16132333       2.83508669
O        0.24877000       4.25465000       2.39203000      -0.11282179      -2.55282535       1.86985616
O        1.94901000       2.15124000       3.69056000      -0.37170805       1.59956496      -2.06615286
O        1.41336000       4.03736000       0.03151000       1.40466263      -0.54988762      -0.80249692
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.07178681 magmom=22.0072367 free_energy=-100.07844205 stress="-0.037525505739797654 0.010184014582520115 0.02536268257972074 0.010184014582520115 -0.062228566829428046 0.0009885514739374733 0.02536268257972074 0.0009885514739374733 -0.06440112636176099" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.30490000       5.44546000       0.88892000       0.11463227      -1.35714712       0.24514894
Cr       1.85712000       0.90387000       5.13128000      -0.11857569      -0.53464253      -1.15724380
Cr       1.56172000       2.84206000       1.66772000       0.26829467       0.01314266       1.69252162
Cr       0.48484000       3.45069000       4.35427000      -0.48891598       0.40662286      -1.00656891
Cr       1.72945000      -1.82592000       5.93665000      -0.49050454      -0.60575675       2.22956942
Cr       1.06624000       6.94976000       3.02741000       1.49572993       0.86301994       1.07321922
O       -0.01289000       1.75892000       0.76630000       0.24970071       1.10746415       2.10410821
O        2.06891000       4.54235000       5.18157000      -0.73756563      -1.55787797      -0.94745218
O        2.65326000       7.08572000       1.70314000      -1.30755105       0.34493269      -0.33396427
O       -0.53689000      -0.93894000       4.45758000       0.30572202       0.93086616      -2.17218481
O        0.13919000       4.18213000       2.46792000       0.50863894      -0.94883649      -0.47020893
O        1.88031000       2.26229000       3.72024000       0.26996927       0.02910400      -1.40698980
O        1.57812000       3.94860000       0.00165000      -0.06957491       1.30910840       0.15004529
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.13997675 magmom=21.9978677 free_energy=-99.1411111 stress="-0.06885071413969293 0.03807324069523709 0.052417259071016895 0.03807324069523709 -0.07858356311374283 -0.01663970401508433 0.052417259071016895 -0.01663970401508433 -0.0800314526471962" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27880000       5.46784000       0.88325000      -0.27918535      -2.34657974       1.38665631
Cr       2.02732000       0.87397000       5.11566000      -1.11880138       1.67273594      -0.55412795
Cr       1.54899000       2.77709000       1.78876000       0.19508697       0.38651464      -2.02154776
Cr       0.41403000       3.49927000       4.34185000       1.61798200      -2.03993068      -1.69659427
Cr       1.87989000       6.25411000       5.91003000      -0.04948017       1.53332908       1.82939141
Cr       1.02534000       6.95857000       3.03676000       1.85716580       1.24630542       0.14219856
O        2.85324000       1.81485000       0.80489000       1.69917368      -1.11559942       0.54833592
O       -0.82495000       4.50753000       5.21816000      -2.40315285       0.48330907      -0.62052493
O        2.55637000       7.21017000       1.75333000      -0.28890118      -0.86375221      -1.22200044
O       -0.47225000      -0.83605000       4.40102000      -0.82237924      -1.45176798      -0.15290531
O        0.13215000       3.90443000       2.39224000      -0.10026692       2.75477912      -0.21532593
O        1.81828000       2.36887000       3.58938000       0.48019073      -1.83364253       1.97751861
O        0.63496000       2.12521000       5.93388000      -0.78743209       1.57429929       0.59892579
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.42139264 magmom=21.9988711 free_energy=-99.42954417 stress="-0.04488013029680579 -0.0037328205906623103 0.007972725886876204 -0.0037328205906623103 -0.06302890660055749 -0.001322936361998374 0.007972725886876204 -0.001322936361998374 -0.07925322774751102" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18988000       5.36638000       0.93856000       0.08481496       0.74179811      -1.94135528
Cr      -0.79693000       0.93039000       5.07845000      -0.51444950      -0.62659514       2.54252771
Cr       1.55379000       2.70181000       1.86257000       1.27928764      -0.26390602      -2.62323092
Cr       0.40056000       3.49229000       4.22020000      -0.71855877      -0.10108850       1.70239775
Cr       1.64845000      -1.80886000       6.00990000       0.28800827      -0.38627300      -0.16668526
Cr       1.07925000       7.07594000       3.03795000      -0.86775062       0.50660298      -1.42958370
O        0.06593000       1.74776000       0.89767000       0.36138640       0.48733944       0.16997378
O        1.81787000       4.48284000       5.22611000       0.93673042       0.23500155      -1.72910071
O        2.48227000       7.11520000       1.65980000       0.53861881      -0.33447734       0.04188327
O       -0.63170000      -0.82181000       4.24575000       0.19027132      -0.86825086       1.90468767
O        0.14897000       4.01382000       2.19982000      -0.28704493      -0.96918467       3.33897332
O        1.84761000       2.14201000       3.74147000       0.23681395       1.99813469      -2.56213154
O        0.69725000       2.32647000       5.89050000      -1.52812795      -0.41910123       0.75164392
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61325685 magmom=21.9970546 free_energy=-99.62409816 stress="-0.05906229945032537 -0.0425334552790898 -0.029884255960552338 -0.0425334552790898 -0.05791894021875369 -0.019005512853380417 -0.029884255960552338 -0.019005512853380417 -0.08055300246832812" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08395000       5.28112000       0.89992000       1.15343204       0.28098823      -0.96079280
Cr      -0.69682000       0.95415000       5.14202000      -0.13864604      -0.45232999       0.41791516
Cr       1.62889000       2.62523000       1.80219000       2.02229593       2.39573825       0.03757455
Cr       0.35853000       3.48940000       4.19055000      -0.77535135      -0.16928626       2.08961580
Cr       2.78818000       0.06414000       0.07364000       0.03233574      -1.72310823      -1.64366215
Cr       0.90174000      -0.89133000       2.97192000      -1.55858356      -0.57182969       0.05985224
O        0.27514000       1.73920000       0.92478000      -1.50718773      -0.13088138      -0.46615649
O        1.68015000       4.52389000       5.05476000       1.83594946       0.40278619       0.39688313
O        2.56387000       6.95160000       1.61946000      -0.45072394       1.78833332       1.25290431
O       -0.80071000      -0.86475000       4.37441000       1.31362184       0.27164955       0.07390163
O        0.12795000       4.04505000       2.41900000       0.34868839      -0.56973594      -1.45967630
O        1.94660000       2.15916000       3.63039000      -0.68976628      -0.05966217       0.55030200
O        0.51979000       2.43826000       5.98522000      -1.58606451      -1.46266187      -0.34866108
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.0673585 magmom=21.9985491 free_energy=-100.07078377 stress="-0.07831606012160329 -0.015085059853096567 -0.003672288531499211 -0.015085059853096567 -0.07846890021227802 -0.04630069342976647 -0.003672288531499211 -0.04630069342976647 -0.0623899924342224" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02408000       5.26175000       0.82751000      -0.10452773       1.67949783       1.42735617
Cr      -0.66622000       0.91162000       5.20185000      -0.61250584       0.15520491      -1.30690139
Cr       1.76033000       2.65234000       1.74850000      -0.92120492       2.11162785       1.06853175
Cr       0.30290000       3.50091000       4.26788000       0.98762842      -0.31998120      -0.56119848
Cr       2.80545000      -0.00173000       0.05865000       0.32827881      -0.04731357      -0.98696206
Cr       0.85560000      -0.82802000       2.95073000       0.53003998      -0.36805457       2.14183597
O        0.20063000       1.76546000       0.87638000       0.71828145      -0.74550934       0.56144483
O        1.85172000       4.56097000       5.02123000      -0.69482256      -0.62742083       0.44333355
O        2.62018000       7.00528000       1.72689000      -1.47180742       0.54970760      -1.20783425
O       -0.76067000      -0.79456000       4.43290000       0.23874612      -1.29284416      -1.36586907
O        0.18036000       3.96162000       2.35664000       0.49973804      -0.14859022      -0.19395580
O        1.92062000       2.20845000       3.62638000      -0.79993187      -0.52760097       0.81801232
O        1.38960000       4.22985000       0.02710000       1.30208754      -0.41872334      -0.83779355
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.92737812 magmom=21.9997302 free_energy=-99.93484701 stress="-0.07887622055482187 4.758492853424116e-05 0.005429189383413078 4.758492853424116e-05 -0.087768009771473 -0.034187088875788446 0.005429189383413078 -0.034187088875788446 -0.0767792896819182" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.95189000       5.32449000       0.83780000       0.51781923       0.38169500       1.11533233
Cr      -0.70337000       0.82853000       5.18648000      -0.22457507       1.07756169      -0.44010013
Cr       1.84128000       2.74954000       1.74831000      -1.46517498      -0.84463836       0.14178982
Cr       0.30660000       3.49270000       4.30825000       0.52666504      -1.15051411      -0.83616469
Cr       1.90585000       6.18127000       6.00611000       0.35217084       1.33456882       0.02068658
Cr       0.83181000      -0.79772000       3.04049000      -0.28780860      -0.45591596      -2.09815701
O        0.21581000       1.69045000       0.84698000       0.87084189       0.01022860       0.82686667
O        1.87493000       4.47265000       5.16325000      -1.09216037       0.07759563      -1.28496927
O        2.53352000       7.10252000       1.66603000      -0.48193371       0.16568545       0.14045596
O       -0.69032000      -0.83158000       4.25651000       0.03105663      -1.33476521       1.56458553
O        0.29487000       3.93728000       2.18368000      -0.01759086       0.43078018       2.81551073
O        1.78181000       2.19688000       3.81336000       0.30306895       0.49687092      -1.83535507
O        0.19057000       2.37035000       5.99688000       0.96762101      -0.18915266      -0.13048145
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.8911608 magmom=21.9995531 free_energy=-99.90002277 stress="-0.05060115347302914 -0.0226048156051086 0.00902303625725207 -0.0226048156051086 -0.05071006121000065 0.0011318686319954571 0.00902303625725207 0.0011318686319954571 -0.061241797474866765" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90554000       5.41769000       0.92463000       1.19814751      -1.00866537       0.51963234
Cr      -0.79284000       0.74841000       5.13270000       0.29328992       2.11137865       0.34438300
Cr       1.85839000       2.80271000       1.76314000      -0.04928672      -0.49263279      -0.13427398
Cr       0.33861000       3.41746000       4.28699000      -1.81247386       0.40356709       0.64569437
Cr       2.00270000       6.18734000       5.91778000      -0.39090774      -0.46849014       1.79199354
Cr       0.80189000      -0.78960000       3.05147000      -0.04693309      -0.58103630      -2.42616026
O        0.41719000       1.64306000       0.87148000      -0.30645122       1.30833483       0.46121111
O        1.68376000       4.41116000       5.20217000       1.25493164       0.87038404      -1.29424130
O        2.40946000       7.19041000       1.59182000       0.22142299       0.55937383       1.07236112
O       -0.66537000      -1.04744000       4.28148000      -0.21324912       0.64171452      -0.08202224
O        0.35955000       4.02648000       2.42312000      -0.50561639       0.31497212      -0.72551753
O        1.74215000       2.24906000       3.74667000       1.27959571      -1.55397849      -1.21735897
O        0.31871000       2.44891000       5.97483000      -0.92246964      -2.10492199       1.04429880
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.63109471 magmom=21.9990509 free_energy=-99.63114127 stress="-0.03672801388190123 -0.050648880683005416 0.0001755818093635236 -0.050648880683005416 -0.018460481963113166 0.017424352076776978 0.0001755818093635236 0.017424352076776978 -0.03990269396021885" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90942000       5.46668000       1.04541000       0.77685575      -0.36700226      -0.88588623
Cr      -0.89182000       0.73132000       5.07717000       0.62993930       1.62057175       0.40873650
Cr       1.88346000       2.81940000       1.76727000       0.67152897       2.29193072      -0.97024594
Cr       0.29068000       3.32310000       4.28812000       0.32432390       1.23883503       1.27763072
Cr      -0.88627000       6.18285000       5.92581000      -0.43963040      -0.09675637       2.01703091
Cr       0.75490000      -0.82188000       2.93356000      -0.49103477      -0.34523157       1.20088584
O        0.54766000       1.83707000       0.89475000      -2.09654594      -1.29719049      -0.57844803
O        1.69478000       4.47598000       5.09146000       0.67538622      -1.50807283       0.32968079
O        2.38607000       7.31922000       1.67315000       0.95558334       0.08260422      -1.43909701
O       -0.72089000      -1.10227000       4.27549000       0.20736415       1.51282569      -1.13596942
O        0.29416000       4.20568000       2.57903000       0.04769745      -1.28649566      -0.91137166
O        1.93941000       2.10988000       3.49805000      -0.79267282      -0.88358408       2.01128691
O        1.48166000       4.20497000       0.18542000      -0.46879516      -0.96243414      -1.32423338
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.57922174 magmom=21.9983526 free_energy=-98.57962508 stress="-0.06657779467330997 -0.02332093011152744 -0.001365641697422527 -0.02332093011152744 -0.05658863299024367 0.027385875396241457 -0.001365641697422527 0.027385875396241457 -0.07897002791541421" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04261000       5.46591000       1.12338000       0.44215721      -0.43019441      -2.30689928
Cr       2.04098000       0.77456000       5.01368000       0.31723541       0.63932405       2.20995479
Cr       1.93544000       2.89901000       1.73600000      -2.19973007      -1.09818481       0.32306664
Cr       0.24068000       3.27938000       4.33933000       1.96716169       0.51126333       0.15400507
Cr      -0.81402000       6.17414000       6.01847000       0.33924197       1.75313282      -2.24122826
Cr       0.89071000       7.21536000       2.85736000       1.99483563       0.91034638       1.24381256
O        0.30862000       1.90370000       0.80348000       0.53938248      -1.42271653       0.51533902
O        1.89077000       4.35918000       5.14860000      -1.09106122       0.06617056       0.63179269
O        2.53415000       7.39869000       1.58522000      -2.36898702      -0.80983140      -0.56607879
O        2.19503000      -0.86852000       4.08249000       0.17001594      -1.81495124       2.10936589
O        0.17779000       4.18873000       2.51325000       0.79881358      -1.52721916       1.89092924
O        2.05309000       1.90266000       3.55438000      -0.92674969       2.66614142      -1.53876338
O        1.46017000       4.14434000       0.34460000       0.01768409       0.55671898      -2.42529620
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.29649736 magmom=20.0026413 free_energy=-98.29676683 stress="-0.04321094494902269 -0.022145085060774346 0.005503854516112535 -0.022145085060774346 -0.08905360338409953 0.026341478643551058 0.005503854516112535 0.026341478643551058 -0.044627400938042704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00945000       5.44093000       1.14356000       0.00653798      -1.11856120      -0.33362355
Cr       2.02447000       0.82659000       4.99818000       0.00026463       0.60571019       0.79311598
Cr       1.87762000       2.92259000       1.71185000      -2.72260284      -1.38641714       0.18550161
Cr       0.28885000       3.27677000       4.39076000       1.73708201       0.58380053       0.98126366
Cr      -0.94065000      -1.84943000       5.99465000      -0.35651747      -1.42334124      -1.61950080
Cr       0.90893000       7.17207000       2.82439000       0.24421001       0.60252039       0.56253978
O        0.07459000       1.76795000       0.70224000       1.13970558       1.67305756       1.20698571
O        1.93558000       4.25064000       5.37979000      -0.54618516       1.61302304      -2.13405201
O        2.47217000       7.28742000       1.46179000      -1.10826798       0.07616158       1.51454586
O        2.13863000      -0.89422000       4.16687000       1.01375563      -0.97380822      -0.10860798
O        0.18407000       3.93016000       2.61030000       1.48951883       1.81387901      -1.34698478
O        1.95970000       2.11142000       3.56209000      -1.23863596      -0.04951152      -0.05153694
O        1.49532000       4.31102000       0.22962000       0.34113474      -2.01651298       0.35035346
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.08846873 magmom=21.9939818 free_energy=-99.0932031 stress="-0.07436812544456273 0.023084433264000854 0.03905612726314475 0.023084433264000854 -0.07928869848729228 0.009192815142094477 0.03905612726314475 0.009192815142094477 -0.07327765960745194" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07284000       5.36854000       1.13781000       0.65133446       0.03628838      -1.42688562
Cr       2.01209000       0.87160000       4.98995000      -0.00868898       0.08710653       0.16815756
Cr       1.68270000       2.85858000       1.71021000       0.77578329      -0.74042255      -0.32272746
Cr       0.41156000       3.31486000       4.45419000      -2.14645827       3.34224061       0.27855262
Cr      -0.72513000       6.27942000       5.88768000      -1.01995885      -1.82350670       2.26737362
Cr       0.93361000       7.15689000       2.84415000      -1.24618521       0.52191926       2.38852063
O        0.09310000       1.84490000       0.71143000       0.95416164       0.14676872       0.98635021
O        1.88877000       4.41468000       5.36509000       0.38143053      -0.67649287      -1.45229841
O        2.32327000       7.14045000       1.61165000       1.29698350       0.92059420      -1.34146013
O       -0.77100000      -1.05590000       4.19514000       0.37875970       1.65028315      -1.22329806
O        0.38351000       3.95320000       2.47710000      -2.08911475       0.96570322       1.19673324
O        1.72199000       2.33161000       3.65575000       2.52377538      -2.72308523      -0.56047535
O        1.54720000       4.26488000       0.22459000      -0.45182244      -1.70739673      -0.95854286
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.36607796 magmom=21.9989367 free_energy=-99.36787429 stress="-0.07825220593806832 -0.008938662644352575 5.085348203328371e-05 -0.008938662644352575 -0.06887916981643177 0.009204462690659181 5.085348203328371e-05 0.009204462690659181 -0.07081585629014317" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13978000       5.34001000       1.10010000       0.13192569       0.82167018      -2.26096481
Cr       1.99151000       0.86404000       4.95186000       0.23971168      -0.93433509       2.61495381
Cr       1.55793000       2.76715000       1.72645000       2.90463906       1.77241932       1.51545402
Cr       0.43318000       3.47310000       4.48153000      -0.43318439      -1.09153797      -2.11005850
Cr      -0.77242000       6.23808000       5.86763000      -0.59385664       0.70488985       2.04316080
Cr       0.91085000       7.13799000       2.92398000       1.72853908       0.47998165      -0.58974783
O        0.23203000       1.92764000       0.79064000      -1.96070344      -2.55310324      -0.85467561
O        1.94108000       4.48423000       5.18205000      -0.06876604      -0.46138288       0.47597258
O        2.45600000       7.14315000       1.64126000      -0.43350928       0.43732489      -1.50391508
O       -0.71110000      -0.97496000       4.13241000      -0.85137238       0.43682670       1.99296274
O        0.25537000       4.08139000       2.45068000      -0.38143408      -1.58352509       2.19700728
O        1.85553000       2.20249000       3.74891000      -0.15159394       1.96578829      -2.42899417
O        1.57013000       4.12584000       0.20528000      -0.13039531       0.00498339      -1.09115522
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.45026339 magmom=21.9977261 free_energy=-99.45287154 stress="-0.038902778826517756 -0.007843628877648395 -0.001274193365136389 -0.007843628877648395 -0.0907998044231604 -0.012863245838470297 -0.001274193365136389 -0.012863245838470297 -0.06472323461955237" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18865000       5.34273000       0.99339000       0.17296330      -0.68797437      -0.27667021
Cr       1.98050000       0.81970000       4.97971000      -0.30802990       3.69715299       2.38502462
Cr       1.58622000       2.73356000       1.80194000       0.44422639       0.71026929      -0.95363692
Cr       0.42125000       3.56597000       4.38669000       0.85397436      -2.81859561      -0.21714848
Cr      -0.86489000       6.23588000       5.93691000      -0.20996328      -0.28607038       0.67484350
Cr       0.94655000       7.14387000       2.97995000       0.55150484       0.35996520      -0.89781448
O        0.11024000       1.70684000       0.75770000       0.02740380       2.00025050       1.53472208
O        1.98452000       4.47332000       5.18773000      -0.70847750      -0.02435384      -0.08363079
O        2.64196000       7.15946000       1.51969000      -1.65758986      -0.06443378       1.58015471
O       -0.79437000      -0.84154000       4.28407000       1.18128772      -2.44687712      -1.56789885
O        0.04189000       4.03981000       2.61270000       1.07148913       0.97982042      -2.84987227
O        2.02203000       2.23377000       3.62485000      -1.14914017      -0.62380520       0.79120797
O        1.60106000       4.14872000       0.07656000      -0.26964883      -0.79534810      -0.11928087
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.09960359 magmom=22.0001581 free_energy=-100.10946724 stress="-0.0499134991372357 -0.0002812207743831784 -0.006517567161094853 -0.0002812207743831784 -0.04690260105186026 0.007881442636264937 -0.006517567161094853 0.007881442636264937 -0.09061200219455855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21088000       5.30068000       0.85681000      -0.08266053       0.66828856       0.11121875
Cr       1.96455000       0.90187000       5.10579000      -0.27709933      -0.33539761       0.96998570
Cr       1.65135000       2.72464000       1.83534000      -1.39588923       1.30614417      -1.43481998
Cr       0.44469000       3.52071000       4.24287000      -0.32088202      -0.28465628       0.93853574
Cr       2.95095000      -0.00268000       0.01985000      -0.11817077      -0.01842371      -0.12263804
Cr       0.82592000      -0.91628000       2.99883000       0.31400388      -0.33093949      -0.22952869
O       -0.02574000       1.77603000       0.87109000       1.63770005      -0.10638058       0.02198164
O        1.94138000       4.45845000       5.24965000       0.25768510       0.11264192      -2.17767620
O        2.65935000       7.06003000       1.66104000      -1.67371545       0.15072321      -0.31023368
O       -0.75841000      -0.93863000       4.28720000       1.19351406       0.50569732       1.08365344
O        0.06555000       4.12993000       2.31005000       0.80307059      -1.73546613       2.02060439
O        1.96121000       2.18730000       3.68664000      -0.34843911       0.84745503      -0.68843640
O        0.48677000       2.29906000       6.00981000       0.01088277      -0.77968641      -0.18264668
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.25093718 magmom=22.0008389 free_energy=-100.25912832 stress="-0.08323510108605375 0.014243196027043164 0.01905800676629122 0.014243196027043164 -0.045426533913382645 -0.024727223631698124 0.01905800676629122 -0.024727223631698124 -0.06198639388484579" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19542000       5.29022000       0.73051000       0.34480052       0.73554930       1.22231358
Cr       1.94127000       0.96580000       5.25844000      -0.03585004      -1.36554115      -1.70691300
Cr       1.65367000       2.76322000       1.79462000       0.82661531       0.41198621      -0.66161112
Cr       0.44656000       3.46456000       4.16002000      -1.08184527       0.60906473       1.30681488
Cr       2.82285000      -0.00855000       0.10618000       0.43943955       0.04159838      -0.95970392
Cr       0.90212000      -0.89339000       3.02164000      -0.66715854      -0.55167669       1.27935423
O        0.13312000       1.85015000       0.94614000       0.13543424      -1.95207119       0.00846252
O        1.94279000       4.45751000       5.04963000      -0.19331530       0.78015245       0.01128509
O        2.54782000       6.93015000       1.77070000       0.50057505       0.55359688      -1.75001761
O       -0.61944000      -0.89694000       4.40116000       0.05819672       0.73075281       0.72848459
O        0.24938000       4.00353000       2.22810000      -0.61848947       0.40688382       1.50221978
O        1.83220000       2.22436000       3.70840000       0.89971310      -0.52380536      -1.27063937
O        0.52518000       2.23142000       5.93259000      -0.60811585       0.12350980       0.28995037
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.84400093 magmom=22.0016373 free_energy=-99.84687916 stress="-0.0540515504756016 -0.0007839850761102806 0.016305438982723172 -0.0007839850761102806 -0.06891176892524534 -0.04005799020956479 0.016305438982723172 -0.04005799020956479 -0.05642064621743356" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16893000       5.32431000       0.67001000       0.91657357      -0.04878620       1.57769019
Cr       1.93945000       0.94141000       5.31163000      -0.85223022       0.45667712      -1.75350680
Cr       1.69589000       2.79932000       1.72904000       1.39692931      -0.76132511       0.22533898
Cr       0.39714000       3.45385000       4.16091000      -0.04028829      -0.56550330       0.97555055
Cr       2.75078000      -0.01594000       0.13151000       0.67828717       0.03231940      -1.82108254
Cr       0.94549000      -0.91317000       3.10104000      -0.40816546      -0.25179717      -0.12339475
O        0.30101000       1.65905000       0.92729000      -0.91696827       1.24935694       1.57686307
O        1.90346000       4.53708000       4.94133000      -0.32043711      -0.03884385       0.33082526
O        2.58283000       6.88140000       1.64329000      -0.37790681       0.95063682       1.61227120
O       -0.57775000      -0.66225000       4.53540000       0.59252837      -2.50087603      -2.02739504
O        0.28729000       3.96245000       2.35139000      -0.63270111       1.36870964      -1.55471140
O        1.85575000       2.19633000       3.58438000       0.01063916      -0.30296764       0.66608677
O        0.46711000       2.20041000       5.94732000      -0.04626032       0.41239938       0.31546450
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.48948453 magmom=21.993026 free_energy=-99.49963402 stress="-0.07078574183248999 -0.010288406007178707 -0.0004933473062447523 -0.010288406007178707 -0.03860164313165342 -0.03517928917340997 -0.0004933473062447523 -0.03517928917340997 -0.05597843942774377" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14312000       5.37029000       0.69914000      -0.05405322       0.34118535       1.50652188
Cr       1.95112000       0.91316000       5.25901000      -0.31344637       0.12127767      -1.08509634
Cr       1.85148000       2.77893000       1.68842000      -2.52942604       1.39288806       1.95585428
Cr       0.32138000       3.43889000       4.19984000       0.19372952       0.06859029      -0.95080992
Cr       2.93962000       8.06968000       0.07365000       0.78320567       0.88331077      -0.15963649
Cr       0.96547000      -0.96185000       3.18327000      -0.67297169      -0.49516574      -3.62621639
O        0.21442000       1.68763000       1.02680000       1.11343821      -0.30536062      -1.16892373
O        1.76755000       4.55062000       5.01657000       0.30558262      -0.41896742      -0.53429321
O        2.72386000       6.98022000       1.73251000      -0.89786792       0.41658105       0.08973046
O       -0.58125000      -0.69616000       4.30836000       0.89438288      -0.84560050       3.05436383
O        0.15259000       4.18692000       2.21444000       0.77841295      -1.81589559       1.59180299
O        1.91659000       2.10196000       3.60891000      -0.69214236       1.04161621       0.04979386
O        1.50860000       4.08677000       0.00329000       1.09115576      -0.38445951      -0.72309122
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.65416482 magmom=22.0020248 free_energy=-99.66098772 stress="-0.06406297705726703 -0.03690591937390478 -0.019329908174877796 -0.03690591937390478 -0.052154485232893004 -0.002851031322451313 -0.019329908174877796 -0.002851031322451313 -0.07486597852745301" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07087000       5.45259000       0.84614000      -0.01013073      -0.85938909       0.00563533
Cr       1.97537000       0.89033000       5.11507000      -0.04457126      -0.51607072       0.81975680
Cr       1.93452000       2.80754000       1.76450000      -3.27612048      -0.43785560      -1.17888088
Cr       0.22095000       3.43565000       4.20408000       0.86391632       0.67881934       1.32956995
Cr       1.87190000       6.21795000       6.00595000       0.37583160       0.61214110       0.79540551
Cr       1.16151000       7.05089000       3.10399000       1.91083759       0.17501639       0.61055869
O        0.24040000       1.75318000       0.85410000       0.80352597       0.05199857       0.34785360
O        1.64597000       4.44040000       5.13881000       0.76410680       0.75692818      -1.17256395
O        2.81585000       7.16066000       1.84778000      -2.41592387       0.10121904      -2.34558857
O       -0.53888000      -0.94750000       4.40913000       0.15957473      -0.01968693       0.51692464
O        0.09790000       4.18444000       2.26269000       1.69732690      -0.86318768       2.61692837
O        1.84352000       2.19776000       3.71705000      -1.01952855       0.37715819      -2.32902587
O        0.39564000       2.22776000       5.98223000       0.19115499      -0.05709078      -0.01657362
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55026036 magmom=22.0019138 free_energy=-99.55057377 stress="-0.028732806409953578 -0.03177612962207568 0.02150063456973894 -0.03177612962207568 -0.05317524406732375 0.023553183232169157 0.02150063456973894 0.023553183232169157 -0.07704056942134603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02623000       5.48804000       0.99290000       0.00347784      -2.68732473      -1.21917032
Cr       2.01198000       0.85778000       5.00420000      -0.36751766       0.60955866       0.14162904
Cr       1.84922000       2.83662000       1.79771000      -0.81159898       0.17703609      -2.97279102
Cr       0.15958000       3.46531000       4.27957000       0.91202116      -0.88087066       2.85467538
Cr       1.97111000       6.23517000       5.98905000      -0.41036299      -0.00335908       1.34469611
Cr       1.21973000       6.98010000       3.00536000      -0.40601808       0.70279042       1.49865500
O        0.39791000       1.80601000       0.66993000      -0.64375882       0.62235657       2.91188626
O        1.69100000       4.43231000       5.18129000      -0.11461431       0.37032945      -0.28298976
O        2.66076000       7.26241000       1.69507000       0.14710423       0.11073851       1.09909199
O       -0.47525000      -1.07265000       4.49436000       0.86845512       0.85573220      -3.85505971
O        0.27079000       4.06040000       2.54617000      -0.08282274       1.40377771      -2.92732738
O        1.65299000       2.31119000       3.59908000       0.74723721      -1.50374177       0.40255168
O        0.46379000       2.19080000       5.93143000       0.15839803       0.22297663       1.00415272
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.96667707 magmom=21.9982614 free_energy=-99.96780305 stress="-0.05925018497810801 -0.014392406286946116 0.014179785808293828 -0.014392406286946116 -0.034605314607771366 0.005646509144218315 0.014179785808293828 0.005646509144218315 -0.043314281340186195" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.88653000       5.41592000       1.04631000      -0.19720470      -0.52302134      -1.82900538
Cr       2.03072000       0.86481000       4.96679000      -0.41232181      -0.46622424       0.77959098
Cr       1.76102000       2.85600000       1.70858000       0.47202604       0.44877054       0.24649296
Cr       0.16739000       3.46188000       4.40873000       1.29981244      -0.78314782      -1.67579597
Cr       2.98629000       0.01777000       0.01145000       0.66179143       1.26096459      -0.51838958
Cr       1.25073000       6.97586000       2.98217000      -0.66587106       0.72098908      -1.10396298
O        0.33125000       1.89752000       0.83777000      -0.91543170      -1.19550961      -0.40102897
O        1.73799000       4.48784000       5.23693000      -0.62662498      -0.39408919      -0.26524766
O        2.63285000       7.24947000       1.68586000       1.00753422       0.13243770      -0.52548943
O       -0.41785000      -1.00350000       4.13129000      -0.86028590       0.14523442       3.98477696
O        0.33944000       4.12194000       2.39063000      -0.77458103      -0.74649832       1.42464182
O        1.66157000       2.20253000       3.60342000       0.51996762       1.02307381      -0.41423200
O        0.52576000       2.13626000       5.97987000       0.49118944       0.37702036       0.29764927
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.32657694 magmom=21.9995603 free_energy=-100.32728122 stress="-0.049367400337240026 -0.012449664519533601 -0.008880065446776992 -0.012449664519533601 -0.08913609531931076 -0.002949923858981328 -0.008880065446776992 -0.002949923858981328 -0.05489836303820318" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.81958000       5.35272000       1.01077000      -0.04081041       0.25029914      -1.28627791
Cr       2.02474000       0.87324000       4.98905000      -0.84811348      -0.00298097       1.17439000
Cr       1.70323000       2.87872000       1.65389000      -0.80048897      -0.84182822       1.78068163
Cr       0.23283000       3.43581000       4.42533000       0.52571031      -0.18958737      -1.63381742
Cr       0.07762000       0.08448000       0.02548000      -0.21389570      -1.27928871      -0.62507528
Cr       1.23996000       7.02272000       2.92589000       0.35265154       0.72039180       1.60909640
O        0.12000000       1.80814000       0.87452000       1.13343899       0.76539639       0.07660911
O        1.71788000       4.46374000       5.30206000       0.36128891      -0.06368647      -1.20376815
O        2.81433000       7.15110000       1.64776000      -0.87495934       0.83559795       0.62236728
O       -0.53399000      -0.89623000       4.32568000       1.02207428      -0.80705070      -0.62384994
O        0.19982000       4.07076000       2.36389000       0.19758367      -0.66328966       1.53881087
O        1.81719000       2.22757000       3.63461000      -0.47802481       0.94721085      -0.84362454
O        0.66128000       2.08677000       6.02148000      -0.33645499       0.32881596      -0.58554204
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75129241 magmom=21.9960205 free_energy=-99.75159593 stress="-0.07470288752574464 -0.014816090018931326 -0.004815792522392048 -0.014816090018931326 -0.11342166234410704 -0.01811332365186389 -0.004815792522392048 -0.01811332365186389 -0.0816461313326886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.76364000       5.33609000       0.92268000       0.20156853      -0.78236928       0.48099717
Cr       1.98027000       0.89809000       5.08070000       0.20371620      -0.10618011      -0.89309620
Cr       1.59958000       2.84638000       1.71064000      -0.09579855      -0.78360989       0.33837301
Cr       0.33561000       3.42363000       4.33606000       0.11196166      -0.09241279      -0.07446503
Cr       0.14718000       0.08015000       0.02453000      -0.67848078      -2.28046376       0.41557842
Cr       1.25366000       7.11684000       2.93543000       1.15519935       0.24928902       2.63527941
O        0.07259000       1.81859000       0.83099000       0.58816265       0.51275661       1.40187087
O        1.79958000       4.40282000       5.23442000       0.57080141       0.88784247      -0.69314211
O       -0.09755000       7.08638000       1.67475000      -1.62333180       1.05215665      -0.36759115
O       -0.60249000      -0.84454000       4.45599000       1.80266678      -0.89535472      -2.99334740
O        0.04214000       3.94759000       2.47017000       1.26154430       1.92116629      -1.25225224
O        1.90754000       2.31876000       3.63472000      -1.45546843      -1.58148556      -0.17709464
O        0.74401000       2.00842000       5.93512000      -2.04254131       1.89866508       1.17888989
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.72389848 magmom=21.9944805 free_energy=-99.73066339 stress="-0.0819372752764612 -0.0012384449780631827 -0.0036538854480830532 -0.0012384449780631827 -0.036692903913830476 -0.011372148234757217 -0.0036538854480830532 -0.011372148234757217 -0.08469220036567894" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.73277000       5.33627000       0.85028000       0.33689744       0.25579339       0.11870380
Cr       1.94473000       0.92893000       5.17758000      -0.36457704      -1.34898710      -0.79498072
Cr       1.47096000       2.75740000       1.83799000       2.62318948       1.03212288      -1.47377778
Cr       0.45705000       3.44567000       4.20229000      -1.12802649      -0.09002547       1.22140488
Cr       0.37518000       8.05265000       0.03725000       0.11197986       1.20643510      -0.73385105
Cr       1.12098000      -0.85841000       3.05038000      -2.03209319      -0.31243681      -2.21015665
O        0.14328000       1.88513000       0.88777000      -1.52572345      -2.40133836       0.06901289
O        2.01584000       4.43364000       5.08471000      -0.91943986       0.22800431       0.22209449
O        2.74230000       7.13420000       1.68544000       0.66477714       0.13326379      -0.50195981
O       -0.45090000      -0.84297000       4.21418000       1.33139569       0.09830345       3.74007619
O        0.05948000       4.08608000       2.33809000       0.01361457      -0.66365239       0.87701346
O        1.78324000       2.11244000       3.66241000       0.71969318       0.77882274      -1.25276829
O        0.49121000       2.05521000       5.88999000       0.16831267       1.08369449       0.71918859
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.51645226 magmom=22.0013177 free_energy=-99.52669539 stress="-0.02836398762160742 0.0001881925600995513 0.0200462831644385 0.0001881925600995513 -0.024953375396301377 -0.015790669462750907 0.0200462831644385 -0.015790669462750907 -0.06680609309887141" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.75282000       5.36763000       0.80914000       0.76936862      -0.36625091      -0.05765223
Cr       1.92081000       0.89934000       5.23069000      -1.06085577      -0.93534359      -0.11566421
Cr       1.46802000       2.70969000       1.86094000       1.07127467       0.15442311      -3.42183469
Cr       0.50469000       3.48819000       4.14707000      -0.98063274      -0.35619447       1.43732233
Cr       0.39302000       7.98162000       0.01821000       0.29754621       1.99328714      -0.57595694
Cr       1.11298000      -0.76669000       3.06010000       0.33204357      -0.44779067      -0.68196005
O        0.02483000       1.64659000       0.91137000      -0.07427341       1.29135451       0.68338445
O        2.06378000       4.47752000       5.02464000      -1.04693488      -0.35999292      -0.10192798
O        2.72341000       7.13666000       1.65278000       0.30089461      -0.19008461       0.86441347
O       -0.24793000      -0.78088000       4.44871000      -1.00071384       0.14717635       0.28376841
O        0.08172000       4.11412000       2.27004000      -0.43790832      -1.24456475       1.08295005
O        1.75401000       1.99397000       3.58959000       0.38892556       0.65875946       0.50236919
O        0.21997000       2.21961000       5.96174000       1.44126573      -0.34477864       0.10078820
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.33615474 magmom=21.9968529 free_energy=-99.33980824 stress="-0.05131597867090785 0.006135374179340915 0.01770532248550459 0.006135374179340915 -0.055790770767437235 -0.03980996703606375 0.01770532248550459 -0.03980996703606375 -0.049396192475011313" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.84143000       5.37755000       0.79003000       0.38905576      -1.54882041       1.05349298
Cr       1.86045000       0.85260000       5.28781000      -1.57809134       1.72910561      -0.56038554
Cr       1.53716000       2.66324000       1.70350000      -1.38411330       1.04066299       1.62444872
Cr       0.47356000       3.51845000       4.17257000      -1.71161579      -2.27065801       0.30705255
Cr      -0.74702000       6.15579000       5.99768000      -0.63830083       0.29908624       0.96299110
Cr       1.11067000      -0.71486000       3.02122000       0.46996618      -0.31623179       1.12914519
O       -0.09767000       1.61309000       0.96276000       1.67652268       0.04474838      -0.16025450
O        1.91804000       4.46540000       5.01606000       0.36337399       0.69599136       0.15206187
O       -0.14800000       7.04509000       1.74026000      -0.39982481       0.97323393       0.04824581
O       -0.26800000      -0.68936000       4.68364000       1.19216870      -0.95412150      -3.10715791
O        0.02365000       3.91037000       2.34261000       0.25710411       0.81916400      -0.90619718
O        1.79188000       2.04957000       3.63478000      -0.07378223       0.50403987      -0.03337792
O        1.32701000       4.16472000       0.02693000       1.43753688      -1.01620068      -0.51006518
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75489515 magmom=21.9986519 free_energy=-99.76210869 stress="-0.08144667424047336 -0.01852824495415331 -0.0005772777095812183 -0.01852824495415331 -0.06064078011042714 -0.04246819283009226 -0.0005772777095812183 -0.04246819283009226 -0.06594817435748218" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01392000       5.30932000       0.83780000      -0.16357411      -0.06840242       1.04122307
Cr       1.73488000       0.90030000       5.31283000       0.35451110       0.20167091      -2.84543414
Cr       1.55616000       2.65198000       1.60769000       0.12717148       1.04567786       3.38078173
Cr       0.31847000       3.44629000       4.21724000      -0.56859723      -0.02441834       0.23988625
Cr      -0.79187000       6.23287000       5.97905000      -0.00644581      -0.77609046       0.04375096
Cr       1.14196000      -0.69532000       3.02687000       1.98026341      -0.52168963       0.81995421
O        0.10296000       1.67546000       0.90052000      -0.73089637      -0.92470285       0.27858190
O        1.79182000       4.51391000       5.11895000       0.28049804      -0.43916399      -0.50893796
O       -0.04557000       7.00829000       1.83210000      -1.36650353       0.68906992      -2.09330520
O       -0.25874000      -0.66745000       4.41726000      -0.78324342       0.23321398       0.83210723
O        0.01402000       3.78496000       2.25206000       1.06961712       1.47366873       0.57650730
O        1.81051000       2.22078000       3.79657000      -0.55285732      -0.68254701      -1.24853794
O        1.50086000       4.04671000       0.06139000       0.36005664      -0.20628670      -0.51657742
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.27086277 magmom=21.9901491 free_energy=-99.27885917 stress="-0.08688407974677145 -0.000694342381206715 -0.003686155523260024 -0.000694342381206715 -0.09339643017339927 -0.03434047936146242 -0.003686155523260024 -0.03434047936146242 -0.0945943908820268" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17205000       5.24942000       0.92694000      -0.22253645       1.71997790      -1.04882162
Cr       1.67275000       0.96848000       5.20705000       1.98876302      -2.56119532      -1.35571367
Cr       1.57188000       2.68133000       1.71309000       1.69951724      -0.01180538       0.40574740
Cr       0.14082000       3.39024000       4.27255000       1.70448899       1.85447247       0.59110473
Cr      -0.85070000       6.25133000       5.96983000       0.17218000      -1.79623954      -0.79938682
Cr       1.23569000      -0.72855000       3.04152000      -2.22303811      -0.97011009      -3.41394988
O        0.24970000       1.66139000       0.76708000      -1.39812080       1.60870418       1.80312505
O        1.76844000       4.47159000       5.21585000      -0.38262243      -0.75825479      -1.11571584
O       -0.09234000       7.03949000       1.64774000      -0.02885953       0.79040088       0.73603875
O       -0.37837000      -0.58284000       4.21911000       1.78371252       0.02160602       3.08864931
O        0.15296000       3.90037000       2.21968000      -0.52856282      -0.80125895       2.64082929
O        1.69592000       2.24924000       3.79248000      -0.81181908      -0.52778387      -2.52772376
O        1.62039000       3.95129000       0.03117000      -1.75310255       1.43148649       0.99581706
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.12197252 magmom=22.0012338 free_energy=-100.12295817 stress="-0.05412400135179904 0.027652510806129474 0.02695570391511233 0.027652510806129474 -0.057730265046444004 -0.010274562040345058 0.02695570391511233 -0.010274562040345058 -0.07423278388659409" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.25868000       5.28527000       0.96427000      -0.65844143      -0.13686549       0.49227805
Cr       1.72829000       0.94276000       5.08635000      -1.08435503       0.70378690       1.43605820
Cr       1.65365000       2.70073000       1.81308000      -0.63838440       1.61930067      -2.38937990
Cr       0.09175000       3.43391000       4.32630000       2.00114217      -1.92577491      -0.83422214
Cr      -0.88686000       6.19800000       5.94790000       0.11756443       1.37670972      -0.32277367
Cr       1.23561000      -0.80335000       2.92333000      -0.78354564       0.26990750       0.60978348
O        0.09480000       1.81719000       0.84256000       0.32813420      -1.09607736       0.41882727
O        1.73272000       4.34581000       5.19063000      -1.13230208       1.48405888       0.07631495
O       -0.09474000       7.09748000       1.60975000      -0.14940224       0.35705873       0.73574643
O       -0.35790000      -0.53930000       4.37211000       1.18307943      -2.51026955      -1.11104372
O        0.19191000       3.95704000       2.48637000      -0.44487543       0.55636358      -0.60764982
O        1.52428000       2.15381000       3.55380000       0.55180247      -0.28165531       2.06928394
O        1.47512000       4.03701000       0.06447000       0.70958355      -0.41654336      -0.57322304
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.18487449 magmom=22.0037647 free_energy=-100.18776653 stress="-0.047277974635641366 0.004947506708743506 0.003740514249301422 0.004947506708743506 -0.03795981192113024 0.0019160431691152538 0.003740514249301422 0.0019160431691152538 -0.05844844831354564" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.26573000       5.33799000       1.01275000      -0.41714769      -0.67581502      -0.86690725
Cr       1.76816000       0.91821000       5.07858000      -0.32091724      -2.01172732       1.66683986
Cr       1.67856000       2.78031000       1.79521000      -1.83412665       0.61749211      -0.08929628
Cr       0.14431000       3.41984000       4.33738000       0.06718819      -1.10129923       0.34939037
Cr      -0.91987000       6.20869000       5.93256000       0.06224227       1.28123919       0.01665920
Cr       1.19881000      -0.85906000       2.85056000       0.95830382       0.55884662       3.28385376
O        0.02642000       1.81791000       0.88433000       1.29064413      -0.84673414      -0.25241049
O        1.64086000       4.40648000       5.21665000       0.52275380      -0.14773716      -0.41524910
O       -0.05511000       7.11903000       1.68405000      -1.24910755       0.52740062      -1.66325936
O       -0.28511000      -0.74618000       4.33979000      -0.30150702      -0.28336741      -0.08840108
O        0.14353000       4.07079000       2.53362000       0.06978574      -0.41451164      -0.67895921
O        1.52293000       2.05757000       3.64868000       0.51032785       2.17277627      -1.60449968
O        0.24823000       2.12463000       6.01085000       0.64156036       0.32343712       0.34223926
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.82483962 magmom=21.999811 free_energy=-99.82958901 stress="-0.05114984686836844 -0.02465262095153898 -0.0014514317958521045 -0.02465262095153898 -0.07113268367571976 0.004827964101821452 -0.0014514317958521045 0.004827964101821452 -0.065811155075619" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20325000       5.39950000       1.04198000      -0.00712149       0.35844578      -3.21416651
Cr       1.81772000       0.79972000       5.17534000      -0.70670755       0.12512239      -2.21573696
Cr       1.59752000       2.91456000       1.74360000       0.33957606      -1.83943785      -0.27391935
Cr       0.22802000       3.37050000       4.36112000      -0.10099690       0.72244371      -0.18239195
Cr       1.82921000      -1.81745000       5.92928000       0.25885891      -1.34738538      -0.70433768
Cr       1.19377000      -0.90483000       2.93043000      -0.66038674       0.30661472      -0.42677735
O        0.17884000       1.71212000       0.81242000      -0.42946836       1.57763680       1.99007755
O        1.71603000       4.44582000       5.21937000       0.33023416      -0.92958935      -0.49525102
O        2.87046000       7.19209000       1.57101000      -0.51982170       0.49624421       1.68124235
O       -0.36553000      -0.98115000       4.23291000       0.33278065       0.69460561       1.07341430
O        0.10565000       4.10499000       2.34986000       0.11637441      -1.34605236       2.16576634
O        1.70282000       2.23761000       3.67599000       0.06840571      -0.44345688      -0.72275593
O        0.22503000       1.95605000       5.88865000       0.97827285       1.62480862       1.32483620
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.80395881 magmom=21.943456 free_energy=-98.80559167 stress="-0.09442374816607986 -0.026159940786723034 0.004348407578511085 -0.026159940786723034 -0.08289605306666076 0.006474792482504311 0.004348407578511085 0.006474792482504311 -0.08710072854534566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08689000       5.50598000       0.96585000       0.02727905      -1.57658941       0.14876711
Cr       1.87432000       0.66449000       5.20986000      -0.80952543       2.18222270      -2.88335660
Cr       1.52051000       2.98003000       1.69006000       2.70647747      -2.08174794       0.42337970
Cr       0.33984000       3.36467000       4.36592000       1.38409599      -0.25125619      -1.26057821
Cr       1.79329000      -1.80557000       5.92905000       0.10349303      -1.72708682       1.26936853
Cr       1.34144000       7.14621000       3.00705000      -2.39476678       0.47964609      -1.53562689
O        0.24081000       1.78039000       0.90507000      -1.36559483      -0.72711459       0.97981931
O        1.93483000       4.35614000       5.19883000      -1.15989064       1.52114316       0.06521198
O        2.76408000       7.32940000       1.67339000       0.22619184      -0.58540649       0.12818350
O       -0.49844000      -1.05644000       4.28444000       2.08684532       0.38730508       0.91635730
O        0.10156000       4.01297000       2.32244000      -0.23368742       2.45536434       0.86807723
O        1.90428000       2.39219000       3.57380000      -1.72641550      -2.27503016       0.13761278
O        0.33176000       1.87364000       5.83762000       1.15549790       2.19855022       0.74278426
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.4048022 magmom=21.9963284 free_energy=-99.40586233 stress="-0.04972216581229495 0.010631733504820844 0.02395927781721879 0.010631733504820844 -0.05541313418096782 0.007813093249200907 0.02395927781721879 0.007813093249200907 -0.057898236384002044" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93623000       5.58043000       0.91407000      -0.31848768      -2.93427243       0.87877107
Cr       1.93795000       0.65517000       5.12753000      -0.81078790       3.02988161      -0.06915881
Cr       1.57688000       2.94430000       1.69230000       0.25788559      -0.09360582       0.06477789
Cr       0.51575000       3.37608000       4.29164000      -1.47812954      -0.25739443      -0.36236682
Cr       1.98398000       6.19987000       6.01600000       0.08012777       1.93316027       1.13851857
Cr       1.18372000       7.11093000       3.00751000       1.00224103       0.07488530       2.32321580
O        0.01791000       1.80634000       1.01146000       0.79944742      -0.37525345      -0.60370736
O        2.00988000       4.45691000       5.21237000      -0.19911793      -0.64311476      -1.85399254
O        2.72536000       7.32983000       1.84083000      -0.93211318      -0.28110113      -2.12963342
O       -0.46700000      -0.98760000       4.45306000       0.79518110      -1.46732678      -1.38241858
O        0.09499000       4.25886000       2.34964000       0.43756728      -1.08472930       0.79484871
O        1.83531000       2.18435000       3.51485000       0.54889897       0.32172910       0.29603966
O        0.57581000       1.92958000       5.79925000      -0.18271293       1.77714180       0.90510584
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58708709 magmom=21.999131 free_energy=-99.58970898 stress="-0.03813588956846174 0.013472607707396151 0.03250743202955618 0.013472607707396151 -0.04427307482153968 -0.00222958430651443 0.03250743202955618 -0.00222958430651443 -0.05046614447514974" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.80693000       5.53239000       0.92365000      -0.18011673      -2.53716904      -1.65111334
Cr       1.98014000       0.80271000       5.06321000      -0.01116006      -0.48618766       0.38683039
Cr       1.65230000       2.90526000       1.71930000      -0.56221331       0.08779236      -0.80804546
Cr       0.59717000       3.38974000       4.20159000      -2.32162145       0.34353836       1.24989053
Cr       3.15217000       8.03497000       0.12193000       0.60825822       2.05694206      -1.98526505
Cr       1.08560000       7.08870000       3.07802000       1.70039619       0.00222370       0.32811080
O       -0.05053000       1.77507000       0.87820000       1.62407811       0.42414934       0.35341526
O        1.99060000       4.47411000       5.08203000       0.21855920      -0.77039723      -0.02971095
O        2.62756000       7.21360000       1.74970000      -0.78183835       0.45020352       1.13656384
O       -0.45441000      -1.01087000       4.43197000      -1.06138007       0.01120764       0.49059471
O        0.14609000       4.32246000       2.38491000       0.58318315      -2.37365113       0.86830154
O        1.82035000       2.04260000       3.53793000       0.88969835       1.43183086      -1.24030908
O        0.73633000       2.07580000       5.85410000      -0.70584325       1.35951723       0.90073682
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.14168082 magmom=22.000361 free_energy=-100.14168915 stress="-0.051136001465987686 -0.019124157494384533 0.003929807212425903 -0.019124157494384533 -0.07794550398422591 -0.016588713357163477 0.003929807212425903 -0.016588713357163477 -0.06411632701187897" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.70987000       5.40453000       0.90170000       1.58987769       1.23746111       1.09426748
Cr       2.01211000       0.94552000       5.04370000      -0.11141243      -1.07787384      -0.15811995
Cr       1.69419000       2.86936000       1.70314000       0.65420870      -0.94600190      -1.71092962
Cr       0.53866000       3.42667000       4.18502000      -1.27117806      -0.94147298       1.18794907
Cr       0.01088000      -0.00335000       0.15196000       0.10599685      -0.62898450      -1.23157408
Cr       1.07656000       7.06699000       3.15398000      -0.88845011      -0.08679995      -0.80039386
O        0.18052000       1.82756000       0.73358000       0.15047708       1.07805744       2.01657510
O        1.99041000       4.36738000       5.05553000       0.09493329       1.05582846       0.68165426
O        2.51368000       7.11174000       1.77080000       0.69616791       0.98470899       0.20404091
O       -0.64423000      -0.99480000       4.41806000       0.68933892       0.29662183       0.57545692
O        0.24432000       4.02116000       2.39349000      -0.08729738       0.94882717      -0.88568194
O        1.95054000       2.14184000       3.47404000      -0.08826005       0.46710090       0.42114642
O        0.74224000       2.23542000       5.96997000      -1.53440241      -2.38747273      -1.39439071
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.93457511 magmom=21.9993473 free_energy=-99.93617402 stress="-0.08540230135905877 -0.030269782413741737 -0.015995082806291316 -0.030269782413741737 -0.08517201053767869 -0.02222210287416522 -0.015995082806291316 -0.02222210287416522 -0.06672398222027533" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71210000       5.35163000       0.92649000       0.37579248      -0.30469413       0.07477773
Cr       2.04988000       1.00539000       5.02571000      -0.33975702      -1.02665174       0.02120696
Cr       1.77324000       2.78704000       1.61734000       1.54963035       0.93829821       1.14699581
Cr       0.41674000       3.44191000       4.22286000       0.99706817       0.33354356       0.18036593
Cr       0.05569000       0.04126000       0.11148000      -0.11326899      -0.59420674       0.50588622
Cr       1.02934000       7.04076000       3.17121000      -0.86497351       0.09251587      -0.67272843
O        0.36194000       1.94698000       0.79311000      -1.77380322      -2.77753484      -0.45834419
O        1.96543000       4.40850000       5.21003000      -0.56344017       0.78672962      -0.53612875
O        2.57307000       7.07453000       1.83186000      -0.05960017       0.86459045      -0.63648016
O       -0.77707000      -0.87218000       4.46046000       1.67812341      -0.62992469      -0.25971318
O        0.30601000       3.90683000       2.26038000      -0.14602682       1.87948744       1.04416786
O        2.02395000       2.28818000       3.55826000      -1.48113999      -0.59135912      -0.63066805
O        0.54129000       2.09307000       5.91072000       0.74139548       1.02920611       0.22066224
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.07945732 magmom=21.9966098 free_energy=-99.08691019 stress="-0.0666458436815058 -0.00886628983695129 -0.013910692286142242 -0.00886628983695129 -0.1134796666295232 -0.02693159783373616 -0.013910692286142242 -0.02693159783373616 -0.09297566641911144" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.78510000       5.34649000       0.96529000      -0.16686903       0.29204019      -1.51842252
Cr       2.08186000       0.98519000       5.01360000      -1.59194593      -0.40485275       0.69837596
Cr       1.91243000       2.72708000       1.59159000      -2.30593491       1.10560499       1.81663343
Cr       0.32995000       3.50829000       4.27285000       0.05950552       0.60337984       0.08982050
Cr       0.09596000       0.04651000       0.07534000      -0.49929071      -2.49103919      -0.27864909
Cr       0.94587000       7.02558000       3.14298000       2.44703103       0.37654513       0.36041544
O        0.27059000       1.70633000       0.78033000       1.60321870       2.50427483       1.19728223
O        1.81592000       4.52524000       5.33238000      -0.10288229      -0.86620928      -2.09262645
O        2.66340000       7.05929000       1.80026000      -1.88455150       0.99710550      -0.78910135
O       -0.69132000      -0.76860000       4.42347000       0.03315720      -1.89419384      -0.84549166
O        0.29954000       4.10636000       2.23638000       0.54081078      -1.86881075       1.73007496
O        1.84266000       2.29738000       3.64886000       0.16323297       0.29211001      -1.46424263
O        0.42277000       2.01367000       5.84682000       1.70451815       1.35404530       1.09593119
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.85065816 magmom=21.9993602 free_energy=-99.85131066 stress="-0.060892291220231494 -0.020461236853918773 0.007021684609517428 -0.020461236853918773 -0.047154662094792195 -0.028651709283511226 0.007021684609517428 -0.028651709283511226 -0.04860914519593519" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90161000       5.37517000       0.95200000       0.11205778      -1.46603968      -0.47060832
Cr       2.05160000       0.91175000       5.02723000      -0.59383341       0.69184987       0.18361524
Cr       1.95889000       2.71829000       1.69578000      -1.98984774       1.57761722       0.67716794
Cr       0.22672000       3.63916000       4.32077000      -0.78022078      -3.29357071      -1.70057127
Cr       0.29994000       8.04307000       0.02104000      -0.26235739       0.90093721       0.14325920
Cr       0.97485000       7.03861000       3.08434000       1.50088213       0.29909589      -2.07951574
O        0.36867000       1.72383000       0.87376000       0.76949823       0.15643342      -0.37997200
O        1.65547000       4.47442000       5.16257000       1.33345227       1.24110276       0.55845535
O        2.54260000       7.10230000       1.66706000      -0.36124397       1.07028090       0.55630593
O       -0.65118000      -0.89901000       4.26883000      -0.84438306      -0.54865857       2.09698271
O        0.27304000       4.10399000       2.44771000       0.02479240       0.17821296      -1.00788925
O        1.64762000       2.31710000       3.54681000       1.02773057      -0.59118611       1.19312320
O        0.56221000       2.16021000       5.97335000       0.06347297      -0.21607516       0.22964701
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.18177689 magmom=22.0007043 free_energy=-99.18531832 stress="-0.052005776940119985 -0.04219060307236759 -0.00049708158867175 -0.04219060307236759 -0.052177651586413666 -0.013811118813449609 -0.00049708158867175 -0.013811118813449609 -0.07645470642233954" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04465000       5.36152000       0.91850000       0.60163384       0.28182257       0.27302522
Cr       1.99381000       0.86698000       5.06549000      -0.04844866       0.11278794       1.16380790
Cr       1.90662000       2.77171000       1.85433000      -0.18098382       0.84496077      -2.05888221
Cr       0.08955000       3.63565000       4.28380000       2.18439193      -2.69009280       0.05209889
Cr      -0.87106000       6.11342000       5.98368000       0.16020239       3.09012835       1.75322818
Cr       1.07347000       7.07632000       2.93260000      -2.00464842       0.19130783       1.25060710
O        0.54871000       1.85823000       0.87901000      -1.79384174      -1.29465286      -0.20354652
O        1.69263000       4.53269000       5.10224000      -1.38009500      -0.75121301       0.15506931
O        2.44998000       7.15675000       1.60424000       1.19897271       0.26433549      -0.01386602
O       -0.75358000      -1.06446000       4.34010000       1.45480228       1.22987594      -1.28876276
O        0.22457000       4.11653000       2.46006000       0.77013248       0.12846302      -0.30144498
O        1.66916000       2.22793000       3.67277000       0.26939773       0.44316652       0.22318810
O        1.84490000       4.14511000       0.13549000      -1.23151575      -1.85088976      -1.00452220
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.62146047 magmom=21.9966732 free_energy=-99.62760782 stress="-0.05228370998084658 -0.035349984124546784 -0.01481174537932691 -0.035349984124546784 -0.044998991443278465 0.009138906160476162 -0.01481174537932691 0.009138906160476162 -0.09008470965450253" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18495000       5.34340000       0.88540000       0.12429831       0.26663061      -0.94943525
Cr       1.94706000       0.82245000       5.15149000      -0.04549389       0.29114106       0.39008080
Cr       1.83093000       2.84151000       1.88846000      -0.58034713      -0.36770901      -2.11560081
Cr       0.06395000       3.49466000       4.24598000       2.87366114       1.08681889       2.10991117
Cr      -0.90600000       6.21821000       5.97601000      -0.08344391       0.69894458       0.05239632
Cr       1.08420000       7.12811000       2.85865000      -0.11459036       0.17353130       1.71430335
O        0.38367000       1.80615000       0.84089000      -0.38604814      -0.51602702       1.64022877
O        1.64613000       4.50530000       5.18398000      -0.00112076      -0.55396692      -0.73377628
O        2.61831000       7.10159000       1.59256000      -0.71118588       0.13341973      -0.32871696
O       -0.69923000      -0.97533000       4.23301000       0.91820458       0.62577202       0.11661641
O        0.28767000       4.15923000       2.36673000       0.31883688      -1.11852630       1.53876069
O        1.78321000       2.19776000       3.84345000      -1.63212620      -0.10892092      -2.68537852
O        1.76048000       4.10417000       0.23860000      -0.68064463      -0.61110803      -0.74938970
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.94080097 magmom=22.0006942 free_energy=-99.94085278 stress="-0.06359124456523839 0.013357986411831183 0.0014290147542265273 0.013357986411831183 -0.06578439889940005 -0.02665955503000185 0.0014290147542265273 -0.02665955503000185 -0.0766829768297665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29403000       5.33525000       0.81959000      -0.26697762      -0.16852665       1.43696708
Cr       1.91345000       0.79583000       5.24219000      -0.75732391       2.34540446      -1.27850985
Cr       1.73215000       2.86864000       1.80751000      -0.30869243      -0.89893360       0.52494556
Cr       0.17689000       3.39441000       4.30995000       0.84473733      -0.42295895      -0.14943069
Cr       1.84241000      -1.74761000       5.97362000      -0.25109834      -2.87794238      -0.72993586
Cr       1.09387000       7.19104000       2.88979000       1.73179619       0.31433859       0.00750324
O        0.09141000       1.72482000       0.97806000       1.20948779       0.78672371       0.59584319
O        1.67238000       4.37269000       5.16359000       0.66534221       1.28069624      -0.92983271
O        2.75649000       7.03016000       1.54839000      -1.95946128       1.02766065      -0.12942352
O       -0.58073000      -0.72396000       4.14765000      -0.05100745      -1.07139949       1.77621758
O        0.36242000       4.03678000       2.48702000      -1.41089464       0.66288880      -0.29044378
O        1.70799000       2.18756000       3.66517000       0.10724774      -0.48374019       0.54998911
O        1.60239000       3.98020000       0.19023000       0.44684442      -0.49421118      -1.38388935
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.39407586 magmom=21.9968234 free_energy=-100.39738463 stress="-0.06437801302986033 0.023491763923759287 0.021889203153200826 0.023491763923759287 -0.052764950076345546 -0.028437819269419715 0.021889203153200826 -0.028437819269419715 -0.04308522369745467" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.33011000       5.32712000       0.81512000      -0.34022008       0.14391974       1.54777520
Cr       1.86865000       0.87565000       5.25334000      -1.39425639       0.42786022      -1.10793307
Cr       1.63238000       2.83471000       1.78123000      -0.37267888      -0.19425051       1.08852991
Cr       0.31565000       3.32165000       4.34697000       0.10807538       0.03630925      -1.67133734
Cr       1.78575000      -1.77217000       5.95767000       0.09390453      -1.19325419      -0.20120506
Cr       0.97813000      -0.83515000       2.92734000      -0.13716581       0.23999252      -0.00878831
O        0.04631000       1.77187000       1.02679000       0.97008154      -0.51770082      -0.45630724
O        1.87412000       4.40629000       5.09426000      -0.33747436       0.42363261       0.01978795
O        2.68294000       7.05401000       1.55006000      -0.40405704       0.19757978       0.51220735
O       -0.56028000      -0.63227000       4.30571000       0.87499908      -2.24953160      -0.37474283
O        0.20802000       4.02173000       2.48773000      -0.31879330       0.46923944      -0.71690653
O        1.66509000       2.08331000       3.62731000       0.83568304       0.38186801       0.20908100
O        0.38326000       1.99564000       5.98362000       0.42190230       1.83433554       1.15983897
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.12406126 magmom=22.0039522 free_energy=-100.13157164 stress="-0.05221058936575391 0.004134564388221037 0.014368747166279958 0.004134564388221037 -0.04417319170757931 0.006028446679728259 0.014368747166279958 0.006028446679728259 -0.0766627223711889" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.30453000       5.34555000       0.88718000      -0.12105972       0.46870218       0.01627981
Cr       1.80641000       0.95351000       5.21032000      -0.12659577      -2.48793288       0.52332194
Cr       1.53180000       2.77972000       1.82757000       0.93718843      -0.19779086      -1.54856664
Cr       0.44262000       3.30407000       4.28112000      -0.65202960       1.85070805      -0.24823653
Cr       1.93419000       6.22082000       5.95376000       0.33040584       0.74116147       0.36100866
Cr       1.04410000      -0.75584000       2.95275000      -1.17656821      -0.32591291       1.25641676
O        0.14021000       1.78722000       0.85933000      -1.24828652      -0.53299443       0.86580494
O        2.05635000       4.44317000       5.10923000      -0.84237716      -0.77017301      -0.11378056
O        2.66906000       7.10264000       1.68760000       0.58737811      -0.15717019      -1.03072855
O       -0.53850000      -0.76971000       4.41848000       0.65413953       0.28518493      -0.84526567
O        0.01277000       4.05701000       2.32277000       0.72735674      -0.61472828       1.22331456
O        1.79870000       2.03578000       3.68549000       0.45988029       0.92863459      -1.55655933
O        0.29135000       2.05811000       5.89174000       0.47056804       0.81231135       1.09699061
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.95441411 magmom=21.9967255 free_energy=-99.96120515 stress="-0.033434752601278254 0.00281357565169634 -0.002889384491011043 0.00281357565169634 -0.052508211702648265 0.0018894405652283503 -0.002889384491011043 0.0018894405652283503 -0.068821897279304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23263000       5.39101000       0.97991000       0.09509207      -1.02484656      -0.45697646
Cr       1.76038000       0.89600000       5.16801000       0.18614138       0.54441348      -0.39477347
Cr       1.47749000       2.70768000       1.78270000       0.90228660       0.36656426      -2.56499050
Cr       0.53822000       3.40610000       4.19706000      -1.03096307       0.09462972       1.64495914
Cr       1.92798000       6.13433000       5.96974000       0.57315747       1.56338237      -0.31705949
Cr       1.06132000      -0.70523000       3.03141000      -0.04900614      -0.72202591      -0.29808009
O       -0.00129000       1.73396000       0.79332000      -0.46195208      -0.23525896       1.37285807
O        2.06512000       4.34728000       5.17805000      -0.55988456       0.57829457      -1.07345980
O        2.82556000       7.15194000       1.73223000      -1.33371222       0.35345804      -0.28459772
O       -0.51158000      -0.83708000       4.36613000       0.59150164       0.17658639       0.54082713
O       -0.00014000       3.96374000       2.29858000       0.79218644       0.22310266       1.12873612
O        2.01636000       2.16552000       3.55413000      -0.92667267      -0.83805641       0.93278507
O        0.24919000       2.24713000       5.99975000       1.22182515      -1.08024366      -0.23022799
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.10426476 magmom=21.9978303 free_energy=-99.10752394 stress="-0.06117865575335701 0.017420041540778423 -0.003470213943843363 0.017420041540778423 -0.05950253674429351 -0.018740266316586113 -0.003470213943843363 -0.018740266316586113 -0.07581944144169601" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12680000       5.38847000       1.06298000       0.35390861      -1.43476172      -1.12709302
Cr       1.75336000       0.84980000       5.12045000      -0.10969267       2.37403403       0.54097638
Cr       1.45699000       2.63580000       1.59377000      -1.14080109       2.08557702       2.31030023
Cr       0.58652000       3.55273000       4.18083000      -1.93792081      -2.79389401       0.77755392
Cr       1.97773000       6.10958000       5.98849000       0.39505215       1.54086529      -0.69873822
Cr       1.06389000      -0.70772000       3.10517000       0.07338975      -0.65061121      -2.22516863
O        2.74043000       1.63102000       0.81983000       2.68756625      -0.48618804      -1.01642351
O        1.94731000       4.34772000       5.18204000       1.32295837       1.00366073       0.00112407
O       -0.09560000       7.20993000       1.72563000      -1.53888422      -0.26779977       0.62362505
O       -0.48301000      -0.77881000       4.34401000       0.90453714      -0.92063918       1.50744240
O        0.19823000       3.94719000       2.37643000      -0.36762368       0.69586366      -0.39857481
O        2.04700000       2.18981000       3.60288000      -1.02831936      -0.24140466       0.00326259
O        1.54240000       4.09032000       0.09988000       0.38582955      -0.90470212      -0.29828646
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.44630252 magmom=22.003334 free_energy=-98.45042067 stress="-0.057289378229828686 0.026703964029032475 0.013301983197931334 0.026703964029032475 -0.11865362528200986 -0.01920726481742955 0.013301983197931334 -0.01920726481742955 -0.10221822897916549" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00290000       5.31593000       1.10132000      -0.47612321       1.10390779      -2.23043577
Cr       1.78248000       0.93156000       5.09509000       0.52034904      -1.52203798       0.90188104
Cr       1.39353000       2.61502000       1.48217000       0.63269832      -0.63593609       2.76693256
Cr       0.53535000       3.60204000       4.22315000      -0.90986801      -1.56185624       0.63971141
Cr      -0.91640000       6.14394000       6.00181000       0.32028218       0.24276387      -0.07781297
Cr       1.06224000      -0.76969000       3.07570000       0.06307959      -0.49746272       0.44378382
O        2.85631000       1.56572000       0.65187000      -0.25338905       3.00011953       2.53165962
O        2.00308000       4.50548000       5.18298000      -0.04686815      -2.40233290      -0.80167537
O        2.76096000       7.14640000       1.80008000       0.02612332       0.12923316      -0.84762354
O       -0.41039000      -0.77029000       4.47577000       0.42571868      -0.47280719      -1.26392752
O        0.43784000       4.10036000       2.38394000       0.01967844      -1.25482359       1.58379580
O        1.81333000       2.15156000       3.74972000       0.59281287       2.19027977      -2.95596076
O        1.80174000       3.90503000       0.14181000      -0.91449402       1.68095259      -0.69032834
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.78413919 magmom=21.9971336 free_energy=-98.78486901 stress="-0.10814455017043274 0.028976293941187937 0.0121830395142413 0.028976293941187937 -0.0953611387761426 -0.055296110022978066 0.0121830395142413 -0.055296110022978066 -0.06863783043787629" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.84055000       5.28523000       1.06132000       0.56918988       0.06618685       0.19379752
Cr       1.86248000       0.99221000       5.06033000       0.78126925      -1.12316173      -1.81976244
Cr       1.36403000       2.59149000       1.55803000       3.33898170       2.98701887       3.63358984
Cr       0.42069000       3.56885000       4.29871000       0.80356883      -1.47386982      -1.39698234
Cr      -0.79976000       6.19403000       6.01795000      -0.23101252       0.15970911       0.05975451
Cr       1.05458000      -0.88251000       3.04547000      -0.06926094      -0.38176898       0.40142463
O        0.00488000       1.80858000       0.72734000      -2.04416428      -2.54473407      -0.63647247
O        2.05141000       4.41598000       5.17777000      -2.10940158       0.95012806       1.27055929
O        2.69329000       7.04110000       1.76876000       0.99432478       1.86217797      -1.02929573
O       -0.37077000      -0.82090000       4.38388000      -0.55145380       0.07351252       0.46844616
O        0.65343000       4.16347000       2.49109000      -0.82284048       0.81038420      -0.64696411
O        1.66658000       2.32710000       3.55393000       1.73637800      -1.60221851      -0.11479629
O        1.92173000       3.95977000       0.08007000      -2.39557884       0.21663553      -0.38329858
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.59157433 magmom=21.9998276 free_energy=-99.59960198 stress="-0.04863318127878651 0.005792294382229948 -0.02190363849678264 0.005792294382229948 -0.050379215644587694 -0.014642330405674087 -0.02190363849678264 -0.014642330405674087 -0.06779795234795127" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.74515000       5.28204000       1.04049000       0.26529661       0.53243501      -0.29334639
Cr       1.96621000       0.98406000       4.95849000      -0.77609275      -0.72698858       1.58867545
Cr       1.45617000       2.66493000       1.76419000      -0.28585521       0.88439093      -3.55310545
Cr       0.34539000       3.49842000       4.30879000       0.36724884       0.40808664      -0.05471755
Cr       0.23004000       0.00062000       0.00704000      -0.36374800      -0.45377006      -0.35250369
Cr       1.23611000       7.09401000       3.03082000       0.13563624       0.04107398      -1.04039955
O       -0.07582000       1.76839000       0.73363000       0.68744351       0.86155484       0.62365259
O        1.84679000       4.40186000       5.33935000       0.17411077       0.05158786      -1.86728400
O        2.81611000       7.12820000       1.64785000      -0.50179430       0.58479950       0.94266018
O       -0.47916000      -0.81937000       4.28852000       0.62557487      -0.36513913       1.02918795
O        0.68036000       4.34605000       2.46746000      -0.44289886      -0.56661739       1.39908568
O        1.83441000       2.26198000       3.48557000       0.62169542       0.03726516       2.27315196
O        0.56017000       2.22644000       5.94952000      -0.50661715      -1.28867876      -0.69505716
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.5673253 magmom=21.9956975 free_energy=-99.57702148 stress="-0.05698163564789424 -0.013340698005771324 -0.039183475751039996 -0.013340698005771324 -0.03209461394107992 0.0043617556574446804 -0.039183475751039996 0.0043617556574446804 -0.07075547594334239" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71961000       5.31004000       1.01251000       0.15752775      -0.02648498      -0.63522104
Cr       2.01226000       0.92833000       4.96757000      -0.98920345      -0.87990965       2.13344294
Cr       1.52281000       2.74651000       1.78801000       0.05034382       0.11032636      -0.90297734
Cr       0.31311000       3.48047000       4.30643000       0.81111140       1.18831645       0.33570735
Cr       0.23402000       0.01421000       0.00248000      -0.61329573      -0.41278639       0.20232108
Cr       1.23296000       7.01897000       2.98648000       0.53058695       0.40004513       0.82181328
O       -0.02331000       1.82800000       0.75781000       0.27468511       0.19465754      -0.07722624
O        1.75388000       4.42600000       5.27396000       0.68963844       0.28098141      -0.66154549
O       -0.13344000       7.19518000       1.69728000      -1.31310918      -0.30715055      -0.46844889
O       -0.53317000      -0.85637000       4.32851000       1.19980110      -0.37377586      -0.06645857
O        0.58017000       4.41414000       2.55351000      -0.15100756      -0.59225998       0.34148079
O        2.03028000       2.24550000       3.66609000      -1.52581834       0.59182637      -2.26779831
O        0.33826000       2.14413000       5.78536000       0.87873971      -0.17378585       1.24491044
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.92682243 magmom=22.0019427 free_energy=-99.92806778 stress="-0.05699129066956861 -0.02039438683962602 -0.002695298048877883 -0.02039438683962602 -0.04421271937836032 -0.005178503819296276 -0.002695298048877883 -0.005178503819296276 -0.05215335234281307" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.73731000       5.36054000       0.93812000       0.32627680      -1.18368275      -0.55530768
Cr       2.01192000       0.82394000       5.07556000      -0.94781859       1.02175119      -1.86638803
Cr       1.58669000       2.83235000       1.73712000       0.55516555       1.58917590      -0.46658688
Cr       0.31529000       3.53320000       4.32397000       0.45743352      -1.54648569      -0.42759639
Cr       0.16677000       0.00521000       0.00548000      -0.40584898       0.01385358       0.73507844
Cr       1.24588000       6.98233000       2.98178000      -0.36043318       0.28752199       1.17541352
O        0.14252000       1.93393000       0.83765000      -0.48245470      -1.89042240       0.83628813
O        1.83680000       4.48911000       5.15054000      -0.32308323       0.05808072       0.66567078
O        2.72586000       7.11539000       1.70492000       0.35440827       1.04249271      -0.63808030
O       -0.45526000      -0.96863000       4.35089000       0.23420512      -0.16401850      -0.16586195
O        0.42094000       4.31255000       2.60765000      -0.27443727       0.10599830      -1.96631533
O        1.93036000       2.33024000       3.50880000      -0.65193546      -1.10221098       1.68665980
O        0.30611000       2.05714000       5.90674000       1.51852214       1.76794594       0.98702589
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05058114 magmom=22.0027532 free_energy=-100.05394051 stress="-0.04664019454527294 -0.020701872146554293 0.018303638150303985 -0.020701872146554293 -0.06588484830548341 -0.010664158531703374 0.018303638150303985 -0.010664158531703374 -0.061430972629506496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.81724000       5.39696000       0.81854000       0.87236295      -0.64142974       0.54869554
Cr       1.97401000       0.76391000       5.14260000      -0.51424860       1.37385113      -0.87442014
Cr       1.69872000       2.98289000       1.68798000      -0.46594381      -2.78485275       2.11622440
Cr       0.34301000       3.55336000       4.29369000      -0.28481068      -1.39187549      -1.10110118
Cr       0.04098000      -0.00535000       0.04690000       0.33595076       0.99808197       0.42272363
Cr       1.24670000       6.96277000       3.03377000      -0.46245367       0.41338243      -0.39820811
O        0.25913000       1.78022000       0.95244000      -0.50702710       0.60703505      -0.11381099
O        1.91557000       4.53229000       5.18296000      -0.98727443      -0.47861154      -1.24287965
O        2.64697000       7.06327000       1.65554000       0.68038840       1.32205842       0.95456049
O       -0.41117000      -1.02506000       4.34575000      -0.37342822       0.38717074       0.75508039
O        0.14230000       4.15746000       2.32508000       0.66421581       0.03676349       1.25898886
O        1.64332000       2.24223000       3.60495000       1.15183932       0.28040171       0.30602846
O        1.67370000       3.99987000       0.10365000      -0.10957073      -0.12197541      -2.63188170
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.79475805 magmom=21.9984489 free_energy=-99.8033356 stress="-0.05758879635500422 -0.020073270563604518 -0.0011010333923853997 -0.020073270563604518 -0.06481063198147997 -0.022057651548025886 -0.0011010333923853997 -0.022057651548025886 -0.06642543369960027" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.95197000       5.42472000       0.74205000       0.41668499      -0.35246581       1.47200159
Cr       1.92865000       0.78702000       5.16350000      -0.18391602       0.74889183      -0.23442139
Cr       1.74556000       2.95314000       1.72504000      -1.75338840      -2.76846584      -0.46614325
Cr       0.34562000       3.51144000       4.20876000      -1.45618822      -0.35506005       0.84720240
Cr       2.92914000       0.01701000       0.10410000       0.29012857      -0.05872013      -0.69717184
Cr       1.22232000       6.96966000       3.07003000      -0.37349172       0.45039840       0.05617598
O        0.24187000       1.72617000       0.95801000      -0.07469089       1.67880539       0.62406842
O        1.82909000       4.51583000       5.11505000      -0.07693175       0.69012047      -1.43753979
O        2.72685000       7.09870000       1.74815000      -0.13000137       0.02587330       0.06838956
O       -0.51934000      -0.96815000       4.40995000       0.63155857      -0.18842356       0.28710795
O        0.09619000       4.12786000       2.22028000       2.02197345       0.44529976       2.29987080
O        1.60601000       2.17634000       3.77615000       2.00532355       0.64539750      -2.87770329
O        0.69852000       2.18542000       5.99743000      -1.31706076      -0.96165125       0.05816286
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.07252752 magmom=22.0033584 free_energy=-100.07316908 stress="-0.06466533803761769 -0.001763221097677373 -0.007085128239065115 -0.001763221097677373 -0.04027470825768275 -0.022633741679424214 -0.007085128239065115 -0.022633741679424214 -0.057883038203174864" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11312000       5.45304000       0.74588000      -0.17587982      -1.79313817       0.40548873
Cr       1.89879000       0.86747000       5.16040000       0.19261644       0.39699432      -1.52063569
Cr       1.68865000       2.76788000       1.75916000       0.10161947       2.59473863      -0.59300745
Cr       0.28236000       3.45552000       4.16715000       0.93957606       0.18432339       1.19073554
Cr       2.86878000       0.03925000       0.13734000       0.40075432       0.07383327      -0.87599514
Cr       1.18999000       7.00157000       3.10369000       0.29303342      -0.01549560       1.01040019
O        0.16185000       1.88327000       0.92499000       0.33756522      -1.64576373       0.44204595
O        1.75076000       4.55733000       4.95190000       0.38745164      -0.22156415       0.92051942
O        2.79542000       7.06004000       1.81160000      -1.49425140       0.53747835      -1.14773343
O       -0.63599000      -0.89320000       4.48457000       1.48879459      -0.70048080      -0.11424168
O        0.40158000       4.21151000       2.41166000      -0.63977012      -0.61484257      -1.10524008
O        1.91061000       2.20804000       3.56080000      -0.97705509      -0.48432520       0.34850229
O        0.59513000       2.08944000       5.88407000      -0.85445472       1.68824225       1.03916135
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.0655379 magmom=22.0008926 free_energy=-100.0735802 stress="-0.055745601446489414 -0.004611191396808079 -0.001782442798705954 -0.004611191396808079 -0.05107723330099413 -0.026665234709683766 -0.001782442798705954 -0.026665234709683766 -0.05798793499658587" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22267000       5.40820000       0.78076000       0.24331310      -1.10816040       0.67255647
Cr       1.90751000       0.96415000       5.10660000      -0.51240011      -0.60066255      -0.08837555
Cr       1.63790000       2.72044000       1.75083000       0.37147446       1.37996864      -1.38636264
Cr       0.26593000       3.45380000       4.18934000       1.49019891       0.78079972       0.39904902
Cr       2.86186000       0.05204000       0.13175000       0.35198339      -0.93691618      -1.24058660
Cr       1.16894000       7.03209000       3.15345000      -0.71359776      -0.07161387      -0.94195678
O        0.10068000       1.81458000       0.85637000       0.30625881       0.26788783       0.65908770
O        1.78827000       4.50275000       5.03274000       0.04269581      -0.03412268       0.08756835
O        2.69508000       7.01922000       1.72620000      -0.73170237       0.50214919       0.85970992
O       -0.62397000      -0.83817000       4.48402000       1.07517689      -0.61342207      -0.18800177
O        0.55016000       4.17566000       2.38281000      -1.31005597       0.00206297       0.38847056
O        2.04557000       2.12852000       3.49996000      -1.27221210      -0.24534987       0.67819302
O        0.34848000       2.16442000       5.92038000       0.65886693       0.67737928       0.10064830
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.48123392 magmom=21.9997167 free_energy=-99.48995311 stress="-0.0647289001497331 0.027482030138483972 0.024005595962819332 0.027482030138483972 -0.05949022166008628 -0.005854987694999575 0.024005595962819332 -0.005854987694999575 -0.09277052315604481" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.31129000       5.30761000       0.87400000      -1.68043110       2.30469778       1.88345564
Cr       1.92053000       1.01268000       5.05899000      -0.52986306      -2.43765233       2.02197167
Cr       1.59936000       2.73629000       1.66383000       0.65962608      -0.09131866       0.68763167
Cr       0.33394000       3.52962000       4.23933000       0.65435915      -1.37530203      -0.27865318
Cr       2.89900000       0.01175000       0.06988000       0.16743159      -0.97049883      -0.27984134
Cr       1.11047000       7.07707000       3.15118000       0.03937647       0.13709957      -1.49735120
O        0.04082000       1.76955000       0.80369000       0.38466599       0.82252441       0.25794016
O        1.88404000       4.39024000       5.24218000      -0.46426085       1.46175674      -1.74649164
O        2.55566000       6.98631000       1.76321000       0.36100228       0.13572139      -0.37119157
O       -0.54272000      -0.77117000       4.40107000      -0.48005658      -0.68209757       1.10831824
O        0.45456000       4.13014000       2.35148000      -1.12125807      -0.71700918       1.64047505
O        1.93758000       2.03040000       3.59141000      -0.48643015       3.29618064      -2.37860491
O        0.21754000       2.28756000       5.92984000       2.49583825      -1.88410194      -1.04765860
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.39320681 magmom=21.996927 free_energy=-99.39741781 stress="-0.0769804111661645 0.01615467028040658 0.018277743146306685 0.01615467028040658 -0.08898855650434419 -0.01896175554280064 0.018277743146306685 -0.01896175554280064 -0.07088362084780211" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.32355000       5.27663000       1.07754000       0.04214826       0.19960033      -1.76442882
Cr       1.91692000       0.94410000       5.06352000      -1.05572925       1.86988041      -1.03213673
Cr       1.58422000       2.74645000       1.60213000      -0.37881025       1.83088495       1.23353221
Cr       0.46623000       3.57329000       4.29734000      -1.19151773      -1.37517538       0.11805213
Cr       2.01510000       6.15166000       5.99785000      -0.16804928       2.48123178       1.41111342
Cr       0.83443000      -0.93803000       3.06769000       0.64766627       0.22227261       0.62568164
O        0.03734000       1.86500000       0.75357000       0.59033121      -1.91046789       0.47642646
O        1.96343000       4.44464000       5.28379000       0.15588456      -1.12332654      -0.92753977
O        2.54295000       6.93512000       1.81394000      -0.26183821       0.76096483      -1.44847539
O       -0.61671000      -0.74561000       4.39501000       0.21759436      -2.10940569      -0.44658397
O        0.09943000       3.97714000       2.46364000       0.52796411       0.90490750      -1.70237580
O        1.69865000       2.39686000       3.43784000       1.04081134      -2.64157728       2.36653945
O        0.45528000       2.14569000       5.84837000      -0.16645538       0.89021037       1.09019517
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.08514733 magmom=22.0003857 free_energy=-99.09394999 stress="-0.07661916847763306 0.008579154246512895 0.010390254921887325 0.008579154246512895 -0.10297311041626704 -0.01239457770896965 0.010390254921887325 -0.01239457770896965 -0.07274729930948698" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29118000       5.27944000       1.17922000       0.63971085       1.72492445      -4.55850359
Cr       1.89217000       0.93114000       5.02725000       0.33993501      -0.27804244      -0.24385496
Cr       1.55381000       2.80974000       1.63099000       0.10009150      -1.47866474       0.32577559
Cr       0.51504000       3.57410000       4.34548000      -0.96614596      -1.52967500      -0.84736285
Cr      -0.92198000       6.15269000       5.97027000      -0.30896962       0.89898142       0.92960271
Cr       0.79115000      -0.85234000       3.01335000       0.58517698      -0.04263145       0.29143490
O        0.12232000       1.75281000       0.72064000      -0.45309897       0.23764090       1.23207898
O        2.06583000       4.38640000       5.23485000      -0.65639877       0.46368609       0.65222037
O        2.59502000       6.98227000       1.70170000      -1.40062472       1.29867348      -0.60393289
O       -0.74889000      -0.88697000       4.31210000       0.98359104      -0.19131999      -0.18423594
O       -0.05764000       3.97304000       2.31779000       1.35301380      -1.40816486       2.88857612
O        1.68677000       2.29816000       3.59997000       1.29651254      -1.09524661      -1.07379592
O        0.61407000       2.05602000       5.91252000      -1.51279367       1.39983874       1.19199747
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86216515 magmom=22.0021332 free_energy=-99.86877766 stress="-0.04440217913957467 -0.002924486782025574 0.00319050003204241 -0.002924486782025574 -0.04930493146289706 0.019120649753772766 0.00319050003204241 0.019120649753772766 -0.06476261338040866" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22694000       5.35039000       1.08366000       0.06455585      -0.44622584      -0.96980722
Cr       1.87917000       0.88694000       5.01752000      -0.04394370      -1.98753169       2.78280229
Cr       1.53715000       2.79364000       1.69052000       1.90119908      -1.73656440       0.35783218
Cr       0.50054000       3.51046000       4.34841000       0.14669843      -2.31664055      -0.15955048
Cr      -0.88913000       6.21020000       5.98539000       0.07222100       0.33534846      -0.65105186
Cr       0.77303000      -0.78458000       2.97116000       0.00157254      -0.00704174      -1.30117178
O        0.12822000       1.70874000       0.82552000      -0.44390690       1.33784401       0.20951308
O        2.06138000       4.37556000       5.30238000      -0.43216801       0.07341885      -0.95590786
O        2.56498000       7.19608000       1.54529000      -1.11556983      -0.43818563       1.40488036
O       -0.76425000      -0.99201000       4.18960000       0.86297144       0.45645208       1.35819340
O        0.14115000       3.90274000       2.45085000      -0.14229472       1.22075056       0.14413895
O        1.91049000       2.00368000       3.60945000      -0.48397700       3.04095663      -2.10952114
O        1.68706000       3.99270000       0.08151000      -0.38735817       0.46741928      -0.11034992
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.97003097 magmom=22.0014428 free_energy=-99.97040695 stress="-0.046457895942105115 -0.002426087074007565 0.014723679414458722 -0.002426087074007565 -0.03418072585072139 0.017857764149444268 0.014723679414458722 0.017857764149444268 -0.06420282904180548" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14669000       5.40356000       0.93372000       0.21900204      -0.54155313       2.24080218
Cr       1.87814000       0.77056000       5.10443000       0.00140072       2.38312791      -0.25479733
Cr       1.60679000       2.69543000       1.77430000       0.22631631       2.63252979      -0.68452655
Cr       0.49348000       3.34202000       4.33591000      -0.41987719       0.11894219       0.44294830
Cr      -1.06006000      -1.82072000       5.97857000      -0.41984410      -0.92897257       0.16325799
Cr       0.75765000      -0.73349000       2.88892000       0.56632558      -0.40410559       0.90361032
O        0.06391000       1.83906000       0.87132000       0.88842241      -1.27692240      -0.13527865
O        1.97815000       4.41041000       5.26113000       0.19922026      -0.14747933      -2.03077820
O        2.47235000       7.31883000       1.61027000      -0.25305654      -0.53742651      -0.87060181
O       -0.69829000      -0.92657000       4.24783000       0.09162658       0.04422380      -0.13251312
O        0.36556000       4.01443000       2.55968000      -0.66734595       0.38558736      -0.81959683
O        2.03253000       2.07302000       3.49507000      -0.63716328      -0.61707884       2.68190606
O        1.55337000       4.13905000       0.22190000       0.20497316      -1.11087267      -1.50443237
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57173334 magmom=21.9973513 free_energy=-99.58353209 stress="-0.05870942935307123 0.0034243955558785296 0.015900485095881385 0.0034243955558785296 -0.047948212452158634 -0.0017055635717837083 0.015900485095881385 -0.0017055635717837083 -0.06586996358572754" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07539000       5.40011000       0.87956000       0.26599696      -0.03090421       0.73622428
Cr       1.90155000       0.76866000       5.15790000      -0.30699285       2.51139800       1.04713517
Cr       1.69335000       2.70833000       1.83552000       0.03256288       1.79580449      -0.41535359
Cr       0.46726000       3.21882000       4.33031000      -0.51593606       3.48601827       0.33755474
Cr      -1.07546000      -1.80449000       5.95425000      -0.48021701      -2.20582168      -0.37264843
Cr       0.76481000      -0.71723000       2.87576000       0.21699283      -0.56978461       1.06561054
O        0.12977000       1.78449000       0.84054000       0.56231907      -0.57752978       1.52600270
O        1.94679000       4.40387000       5.05382000       0.10389209       0.07914664       0.63206501
O        2.45239000       7.25607000       1.60449000       0.13000170      -0.26286143      -1.22354410
O       -0.69736000      -0.80873000       4.26212000       0.35148274      -1.20456098      -0.85215578
O        0.44006000       4.17498000       2.47885000      -0.70853323      -1.66076436       0.59265147
O        1.96649000       2.08113000       3.80574000      -0.31261927      -0.11046277      -2.15181559
O        1.51578000       4.24674000       0.16491000       0.66105016      -1.24967757      -0.92172642
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.04999795 magmom=22.0007204 free_energy=-100.0617899 stress="-0.062433259736403714 0.0039215736570058935 0.0059421164535819445 0.0039215736570058935 -0.06408662721512608 -0.013423471252040381 0.0059421164535819445 -0.013423471252040381 -0.05769399367707963" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01572000       5.37834000       0.86462000       1.53199500      -1.48107890      -0.03842216
Cr       1.95207000       0.85848000       5.26204000       0.03736171      -0.65525925       0.91749124
Cr       1.79673000       2.82391000       1.86608000       0.33255488      -1.45913695      -0.95109366
Cr       0.39568000       3.29685000       4.32439000      -0.40851398       1.57616396      -0.51109450
Cr       2.04560000       6.20673000       5.88749000       0.17726878       0.34766577      -0.23594954
Cr       0.78499000      -0.74574000       2.92690000      -0.20475811      -0.31193271      -1.94312053
O        0.31120000       1.65666000       0.99435000      -0.21249321       0.70619841      -0.08920159
O        1.93363000       4.40188000       5.03022000      -0.49354084       0.33291788       0.21786910
O        2.55410000       7.07617000       1.44573000      -1.09453978       1.70534816       1.89698197
O       -0.74898000      -0.78331000       4.16065000       0.64969724      -0.19555848       1.76898037
O        0.34631000       4.01703000       2.41331000      -0.69469954       0.40141143       0.48085428
O        1.81273000       2.09225000       3.84632000       0.79035139       0.44447939      -2.46530597
O        1.60486000       4.20927000       0.00070000      -0.41068356      -1.41121872       0.95201097
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.36732745 magmom=21.9943651 free_energy=-99.37275332 stress="-0.08215623485023456 -0.036948486297622554 -0.012005243117575769 -0.036948486297622554 -0.08661717187004406 -0.03489239847482363 -0.012005243117575769 -0.03489239847482363 -0.07075342905290759" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00869000       5.29520000       0.84692000       0.74445794       0.06644023       1.19058304
Cr      -0.96436000       0.90569000       5.41210000      -0.11556115      -1.20332628      -2.70945070
Cr       1.89375000       2.83929000       1.83552000      -2.50303441      -2.54873729      -1.76604995
Cr       0.29457000       3.48163000       4.28230000       0.80439371      -2.26851832      -0.75311152
Cr       1.98130000       6.12776000       5.80836000       0.27901229       3.00994886       2.20090027
Cr       0.79942000      -0.80429000       2.91312000       0.42911884       0.41576836       0.08619016
O        0.41515000       1.69519000       1.08271000      -0.72658009      -0.03599736      -0.82159165
O        1.83772000       4.41151000       5.13459000      -0.60830424      -0.91965004      -1.21066355
O        2.61799000       7.05119000       1.55285000      -1.09391603       0.76835616       0.07040712
O       -0.76635000      -0.73226000       4.27991000       0.72440258      -0.56772659       0.19262732
O        0.21715000       3.95704000       2.39235000       2.16389995       2.87291488       0.31042912
O        1.77934000       2.19465000       3.55779000       0.21989258      -0.18616858       2.89441969
O        0.52747000       2.14520000       6.02112000      -0.31778197       0.59669597       0.31531065
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.98242818 magmom=21.9963611 free_energy=-98.99460599 stress="-0.07998532825676345 -0.020081474353267507 -0.009638195158714427 -0.020081474353267507 -0.0668992210711954 -0.010987820113870932 -0.009638195158714427 -0.010987820113870932 -0.10701820244036855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03668000       5.23334000       0.87069000      -0.02723355       2.37227091      -0.77259462
Cr      -0.89372000       0.88956000       5.40283000      -0.74796418       1.77068369      -3.71139946
Cr       1.87236000       2.71798000       1.76746000      -1.15255503       1.68378675       1.86870427
Cr       0.23514000       3.55803000       4.19920000       0.28557103      -1.53870312       0.41801344
Cr       1.94128000       6.16765000       5.82785000      -0.17980644       0.31011179       2.21053725
Cr       0.83328000      -0.84269000       2.90999000       0.42139005       0.43814174       1.87006990
O        0.32951000       1.77523000       0.97009000       0.36374643      -2.27248155       1.01348008
O        1.69798000       4.35335000       5.15249000       0.63498546       1.34763304      -0.14178768
O        2.57038000       7.08613000       1.69225000      -0.49308858      -0.01726631      -2.00097584
O       -0.72595000      -0.69664000       4.41200000       0.61964552      -1.57086102      -1.99465501
O        0.38470000       4.27646000       2.39530000       0.23442868      -2.47944820       1.19476122
O        1.81284000       2.28341000       3.68956000      -0.11926380      -0.74943936      -0.15475722
O        1.66826000       3.89977000       0.07842000       0.16014441       0.70557165       0.20060367
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.66207554 magmom=22.0018913 free_energy=-99.6742961 stress="-0.04930366999148762 -0.024228651071326383 -0.0025522980655891493 -0.024228651071326383 -0.04620007093415203 -0.025672521734502643 -0.0025522980655891493 -0.025672521734502643 -0.06999168002089973" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06274000       5.28433000       0.87539000       0.57072474       0.32836503      -0.07096333
Cr      -0.85315000       0.90813000       5.18686000      -0.41787599       0.00506264       0.99747852
Cr       1.78356000       2.64650000       1.80535000      -0.48190382       0.79199976       0.22788573
Cr       0.19830000       3.56343000       4.15253000       1.07800219       0.22097238       2.58505494
Cr       1.90278000       6.22854000       5.96024000       0.14866572      -0.21942345      -0.03805867
Cr       0.88870000      -0.86254000       2.99069000      -0.99945215      -0.44403479      -1.49771067
O        0.22021000       1.61863000       0.89957000       0.32160237       1.10105546       0.43197380
O        1.70635000       4.49222000       5.15829000       0.26787560      -0.84736880      -1.05611956
O        2.52026000       7.03383000       1.58664000       0.11909237       0.45748416       0.65169730
O       -0.66202000      -0.79900000       4.25907000       0.57924722      -0.46241367       1.00055936
O        0.56963000       4.26785000       2.46742000      -0.10410676      -0.73512087      -0.34804477
O        1.83906000       2.25401000       3.84423000      -0.72032675      -0.18847934      -2.09533607
O        1.68098000       3.96549000       0.19750000      -0.36154474      -0.00809852      -0.78841657
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.04424337 magmom=21.9916154 free_energy=-99.04817822 stress="-0.05649106339150496 0.004075667610690429 0.010910164823945483 0.004075667610690429 -0.06289011224598191 -0.025261391780758157 0.010910164823945483 -0.025261391780758157 -0.08034536104747535" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10171000       5.35007000       0.85844000       1.39026086      -1.51443928       0.32105642
Cr      -0.83841000       0.91994000       4.97703000      -0.07029184      -0.68157778       2.90354966
Cr       1.64931000       2.60183000       1.86146000       0.39632661       1.30672439      -3.42495518
Cr       0.20938000       3.58038000       4.23976000       1.71648051      -0.56232500       0.21327064
Cr       2.83430000       0.01945000       0.08564000       0.57905780      -0.44174283      -2.19926277
Cr       0.90493000      -0.90767000       3.00785000      -0.12391638      -0.69967172      -1.48830470
O        0.14062000       1.69351000       0.89865000       0.60625778       1.19985496       0.48834959
O        1.80640000       4.55657000       5.06930000      -0.95305092      -0.41665238       0.47022974
O        2.57506000       7.02234000       1.61088000      -0.55812227       0.93521267       1.33640820
O       -0.59119000      -0.91244000       4.23328000      -0.23654293       0.07700435       1.88077275
O        0.70037000       4.11309000       2.47433000      -1.87828200       1.13567544       0.20402770
O        1.80096000       2.19710000       3.65073000       0.03859773       0.43491841       0.82836992
O        1.68818000       4.04873000       0.21144000      -0.90677495      -0.77298122      -1.53351196
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.29008961 magmom=22.0006287 free_energy=-99.29314 stress="-0.09092301513378818 -0.0023078018066159016 -0.008683657643845205 -0.0023078018066159016 -0.04836644671004302 -0.01621885025199339 -0.008683657643845205 -0.01621885025199339 -0.06073770017403565" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17852000       5.31610000       0.85372000       0.09736449      -0.27712955       1.10122097
Cr      -0.84126000       0.87809000       4.89588000      -0.15305150       1.41061623       2.71280978
Cr       1.52468000       2.61844000       1.76277000       1.40594542       3.47432671       0.81794727
Cr       0.30893000       3.57637000       4.34160000       0.39609772      -1.39914198      -1.73528513
Cr       2.85636000       0.03222000       0.14555000       0.25996879       0.44567307      -1.07744964
Cr       1.10507000       7.10616000       2.97765000       0.70611776      -0.44795085       3.12513740
O        0.07502000       1.95116000       0.87622000      -0.59391251      -2.64503326      -1.64808337
O        1.79048000       4.51814000       5.13580000       0.35926560       0.67249061       0.66285930
O        2.64720000       7.08216000       1.80485000      -1.04265023       0.08110278      -2.24475969
O       -0.62056000      -0.92277000       4.46680000       0.33162027      -1.54004255      -1.23779259
O        0.51708000       4.17251000       2.45861000      -0.79863883      -0.12076854       0.40931263
O        1.82843000       2.20991000       3.60196000      -0.01967593       0.76224108      -0.14774446
O        0.48238000       2.29171000       5.99876000      -0.94845104      -0.41638375      -0.73817250
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.34082358 magmom=21.9994061 free_energy=-99.34701046 stress="-0.03865358698036496 -0.0023518830078287463 2.788165762754338e-05 -0.0023518830078287463 -0.07604589096997515 0.0299570206473456 2.788165762754338e-05 0.0299570206473456 -0.10199273420829585" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.23516000       5.25142000       0.89225000      -0.82893774       2.18944245      -0.15066303
Cr      -0.86510000       0.86207000       4.92409000      -0.14201444       1.20964529       0.26542215
Cr       1.45761000       2.77330000       1.66765000       0.66270429       0.81498041       0.95611456
Cr       0.43034000       3.53351000       4.33314000      -0.63724010       1.31922685      -1.28661991
Cr       2.89884000       0.06116000       0.14542000      -0.12292482      -1.62525023      -0.37975033
Cr       1.13851000       7.00794000       3.08541000      -0.65097626      -0.22255966      -0.11774871
O       -0.06084000       1.88067000       0.63749000       0.13699698       1.36803812       1.97149583
O        1.83845000       4.53158000       5.36090000       0.62608989      -0.58105827      -2.26565002
O        2.65928000       7.07757000       1.74826000      -0.51095217      -0.26815811       0.75987373
O       -0.67684000      -0.99384000       4.47622000       1.26956037      -0.32424699      -1.36358625
O        0.18592000       4.24607000       2.45995000       0.24261596      -1.79021666       0.65845777
O        1.92379000       2.30969000       3.65692000      -0.43896176       0.10786463      -1.18038400
O        0.32034000       2.37450000       5.77322000       0.39403980      -2.19770784       2.13303821
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.93226335 magmom=22.0036205 free_energy=-99.93639842 stress="-0.058737854677351195 0.005977828352792801 0.01221298048290682 0.005977828352792801 -0.07166168045360109 0.004609901114592522 0.01221298048290682 0.004609901114592522 -0.06046006162643414" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22639000       5.29726000       0.93318000      -0.58328355       1.67984934      -0.37697367
Cr       2.09299000       0.88325000       4.94522000      -0.30228478       0.40697463      -0.62100786
Cr       1.44057000       2.93110000       1.64853000       0.94643568      -0.85848024       0.15531053
Cr       0.49416000       3.54160000       4.26870000      -1.10971239      -0.31094782       0.91511325
Cr       2.92807000       0.02211000       0.12356000       0.11014174      -0.31930683      -0.08943690
Cr       1.13679000       6.93246000       3.16759000      -0.55425238       0.09340513      -2.52157459
O        2.86343000       1.93364000       0.69469000       0.70036742      -0.38283453       1.10493505
O        2.00706000       4.47150000       5.26701000      -0.26366867       0.11056458      -1.02164678
O        2.65549000       7.00740000       1.78544000      -0.49040554       0.37727100      -0.14099850
O       -0.59404000      -1.04869000       4.33028000       0.51915747       0.22581676       2.66526518
O       -0.00741000       4.07903000       2.41941000       0.86066885       0.56313887      -0.40471997
O        1.92303000       2.39675000       3.55012000      -0.55521871      -1.53731026       0.26604407
O        0.21993000       2.20193000       5.93986000       0.72205486      -0.04814063       0.06969020
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.43125245 magmom=21.9944854 free_energy=-99.43806826 stress="-0.0645485515937445 0.015118359228026505 0.024927098074904078 0.015118359228026505 -0.08367791815178133 0.0010976787123019292 0.024927098074904078 0.0010976787123019292 -0.06475588503357095" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16112000       5.42395000       0.93812000       0.66801676      -1.98400433      -2.35421807
Cr       2.03848000       0.91454000       4.93111000      -0.49091893      -0.74484248       1.95381969
Cr       1.47959000       2.98572000       1.66630000       1.03426852      -3.68152854       0.47932834
Cr       0.50750000       3.53804000       4.22845000      -0.43364566      -1.45301399      -0.34126996
Cr       3.15495000       8.06326000       0.10030000      -0.11054313       1.25215783       0.81497741
Cr       1.11552000       6.88679000       3.13349000       0.93944575       0.66402474       1.30669845
O       -0.02600000       1.91333000       0.87532000       0.14064911      -1.12724888      -0.58017939
O        2.08693000       4.44507000       5.09421000      -1.42691394       1.14118715       1.01332431
O        2.64589000       6.97885000       1.84948000      -0.94602590       1.55685945      -0.60794613
O       -0.50195000      -0.98333000       4.52964000      -0.19952754      -0.29751935      -1.19935164
O        0.01331000       4.06830000       2.26872000       0.23692210       1.16191511       2.36751056
O        1.81507000       2.21793000       3.56074000       0.31275495       0.94440208      -0.70513331
O        1.37072000       3.92308000       0.07581000       0.27551792       2.56761121      -2.14756027
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.94277364 magmom=22.0038692 free_energy=-99.94862643 stress="-0.0226746456903486 -0.005721773443069331 0.01061422465490017 -0.005721773443069331 -0.03917700856142714 -0.00722065632453398 0.01061422465490017 -0.00722065632453398 -0.04438425699564421" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07596000       5.49815000       0.82482000       0.48128910      -2.06981861       0.33924174
Cr       1.94449000       0.90687000       5.02292000      -0.68560942      -0.43815320       1.57916878
Cr       1.60057000       2.83645000       1.70444000       0.57724549       0.23666848      -0.67610284
Cr       0.48355000       3.48353000       4.18339000      -1.71941688       0.04030155       1.20173472
Cr       0.01695000      -0.03447000       0.11558000      -0.08919564       1.32918562       0.44086480
Cr       1.14169000       6.89466000       3.13956000      -0.06197979       0.83667304       0.97592919
O        0.14204000       1.71114000       0.94268000      -0.44120591       2.06258798       0.33306953
O        1.91519000       4.55320000       5.13071000       0.07637262      -0.83335573      -1.64829908
O        2.61992000       7.13448000       1.83705000      -0.06272855      -0.24039926      -0.49114526
O       -0.52435000      -0.86627000       4.57950000       0.48764656      -1.38316196      -1.95797916
O        0.14547000       4.25822000       2.35923000       0.20258802      -1.56447512       0.37204003
O        1.73856000       2.10733000       3.55319000       0.57638063       1.52450771      -0.93925151
O        0.25777000       2.21685000       5.89662000       0.65861377       0.49943949       0.47072903
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56509305 magmom=21.9990638 free_energy=-99.56658275 stress="-0.061759988047130544 -0.01491386204853552 -0.0017445237395889482 -0.01491386204853552 -0.02531249642736018 0.004218440378080944 -0.0017445237395889482 0.004218440378080944 -0.08174806431428362" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.98367000       5.47347000       0.72165000       0.33265488      -1.34389846       2.31987183
Cr       1.83158000       0.88169000       5.19933000      -0.19386369       0.60669211      -1.71932476
Cr       1.76335000       2.67387000       1.71839000      -0.67778221       3.58097565       0.82932011
Cr       0.36961000       3.44619000       4.17601000      -1.13176835       1.22728199      -0.34838856
Cr       0.05838000       0.03815000       0.14463000       0.13364019      -0.89088915      -1.43757646
Cr       1.17000000       6.96690000       3.17737000      -0.83412356       0.05845642      -2.47664369
O        0.23331000       1.77401000       0.95672000       0.41858542      -0.03999695      -0.48807260
O        1.75477000       4.55991000       5.07148000       0.64811123       0.36057188      -0.97449767
O        2.67963000       7.17810000       1.77140000      -0.24138391      -0.53699445      -0.08603536
O       -0.57184000      -0.87456000       4.34622000       0.81756318       0.33501466       3.05207525
O        0.30596000       4.23113000       2.42301000      -0.16186679      -1.01502147      -1.92966900
O        1.77234000       2.21709000       3.50994000       0.53212552      -0.69849557       1.45725398
O        0.36682000       2.37029000       5.74360000       0.35810810      -1.64369666       1.80168695
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.90325964 magmom=21.9991135 free_energy=-99.91049021 stress="-0.05940893214536663 -0.021495211509704737 -0.006890483213072735 -0.021495211509704737 -0.06204111081109592 -0.03117886182551891 -0.006890483213072735 -0.03117886182551891 -0.07549663675631635" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.92762000       5.38593000       0.73274000       0.69099441      -0.71903814       0.23677880
Cr       1.75665000       0.90318000       5.26895000       0.34551190       0.95628624      -2.58172294
Cr       1.86804000       2.68885000       1.77037000      -0.73837030       1.65538570       0.05613177
Cr       0.22747000       3.47973000       4.15412000       1.93994780       0.66592495       0.97617253
Cr       0.08893000       0.07428000       0.10888000      -0.17920110      -2.20721015      -0.91841645
Cr       1.16252000       7.04510000       3.11055000       0.31393547      -0.04593704      -0.09415266
O        0.33163000       1.81945000       0.84880000       0.32852395      -0.81523821       1.84932517
O        1.76863000       4.54501000       4.98514000      -0.10899565       0.59236461       0.27097992
O        2.77801000       7.01300000       1.70124000      -0.77327005       1.37048953       0.78838532
O       -0.58531000      -0.85312000       4.46383000       0.73282437       0.46663041      -0.55106633
O        0.38285000       4.03620000       2.18538000      -0.73386342      -0.37566183       1.41671480
O        1.85822000       2.24351000       3.69799000      -1.20179733      -0.94810774      -0.98588758
O        0.47936000       2.33731000       5.91328000      -0.61624005      -0.59588832      -0.46324236
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.7718266 magmom=22.000286 free_energy=-99.77979886 stress="-0.07221052878816293 -0.025341254411593524 -0.0037701862650971973 -0.025341254411593524 -0.06890998450899379 -0.04515698604681574 -0.0037701862650971973 -0.04515698604681574 -0.06818695914776889" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.93981000       5.28703000       0.77064000       0.89229339       0.28646598       0.20395060
Cr       1.74852000       0.96411000       5.21993000       0.59321821      -1.30647644       0.05148632
Cr       1.90642000       2.76003000       1.81297000      -2.48797523      -2.49112970      -1.46485414
Cr       0.18834000       3.54844000       4.17595000       1.76239246      -1.01050550       0.74526654
Cr       0.11335000       0.01332000       0.02945000      -0.13622997      -0.20424579       0.32034458
Cr       1.17116000       7.11272000       3.03894000       0.57387481       0.26371553       1.00291941
O        0.38769000       1.72604000       0.93873000      -0.45313018       0.29093409       0.49945591
O        1.79911000       4.56807000       5.03989000      -0.97425469      -0.10890866       0.04013581
O        2.76816000       6.93596000       1.71887000      -0.87880989       1.15296924      -0.26815824
O       -0.58235000      -0.72953000       4.45874000       0.75083216      -0.48043717      -1.19382945
O        0.30753000       3.87977000       2.18702000       0.97644944       2.64663721       2.00013877
O        1.77459000       2.16905000       3.73177000      -0.24003311       1.36044157      -1.42968625
O        1.58758000       4.09983000       0.01604000      -0.37862739      -0.39946037      -0.50716986
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.70235789 magmom=21.9951275 free_energy=-99.70471022 stress="-0.06724090047338681 -0.008204579887975358 -0.004072940451934474 -0.008204579887975358 -0.03595465694115314 -0.02951126456107629 -0.004072940451934474 -0.02951126456107629 -0.07265735093043246" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04179000       5.21400000       0.84282000       0.26972845       1.24674103       1.24358285
Cr       1.81987000       0.98736000       5.14551000      -0.97628317      -1.25826485      -0.59320942
Cr       1.82472000       2.70507000       1.78224000      -1.26351842       1.19955414       0.39867693
Cr       0.24541000       3.58859000       4.26507000      -0.43989171      -1.89851702       0.71139737
Cr      -0.82090000       6.17557000       5.97165000      -0.14811733       1.72046769       1.25948374
Cr       1.01362000      -0.90185000       2.99797000      -1.55463257      -0.10766537      -1.23785635
O        0.29358000       1.65801000       1.08511000       0.13038721      -0.17431418      -1.15473385
O        1.72104000       4.49933000       5.17185000       0.25152425      -0.61212236      -0.87852218
O        2.65402000       6.95816000       1.69868000       0.47135763       0.41994712      -1.19105968
O       -0.56023000      -0.61990000       4.21338000       1.20561810      -0.80291794       2.36802905
O        0.26012000       4.12771000       2.51027000      -0.07042906      -0.33832182      -2.29278822
O        1.62807000       2.26951000       3.61608000       0.81003870       0.01356342       1.20735066
O        1.41778000       3.93907000       0.00622000       1.31421792       0.59185014       0.15964912
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.24309827 magmom=22.0006449 free_energy=-99.24840089 stress="-0.0677532562582254 0.0043882448843183125 0.004572372330799648 0.0043882448843183125 -0.05622800192591601 -0.02047912139899826 0.004572372330799648 -0.02047912139899826 -0.08047582022862083" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13549000       5.21617000       0.97189000       0.09763567       1.13944154      -1.93774548
Cr       1.89372000       0.96202000       5.05015000      -1.81781492      -0.08773123       0.95930340
Cr       1.66105000       2.66065000       1.76454000      -0.16389072       1.53404600       0.63262691
Cr       0.27966000       3.56159000       4.37981000      -0.52402364      -1.45104115      -1.70294195
Cr      -0.83690000       6.17751000       5.94455000      -0.30140585       0.39208254       0.23330507
Cr       0.99204000      -0.81575000       2.89793000       0.28973383      -0.26667024      -0.26855708
O        0.16576000       1.62576000       0.99368000      -0.12633628       0.25397720      -0.61703293
O        1.77804000       4.32589000       5.26286000       0.21963150       1.91998227      -0.10539522
O        2.68848000       6.99646000       1.56152000      -0.37462006       1.28004109       0.73963529
O       -0.46708000      -0.61345000       4.24771000       0.15739282      -1.68467696       0.03754262
O        0.18740000       4.33001000       2.52846000       0.23014799      -3.16408042       2.00851704
O        1.66057000       2.35388000       3.70851000       0.97008347      -0.88928716      -0.45218442
O        0.25235000       1.97400000       6.00930000       1.34346618       1.02391652       0.47292675
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.66657283 magmom=21.9986045 free_energy=-99.67615567 stress="-0.0525903560544578 -0.004751189919497794 -0.0015353082975157592 -0.004751189919497794 -0.07230244225019215 -0.0005347399711601135 -0.0015353082975157592 -0.0005347399711601135 -0.06651951538700171" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21374000       5.29131000       1.05764000      -0.07138805      -0.90818161      -0.36630350
Cr       1.91075000       0.91001000       5.00994000      -0.70331783      -1.12134416       1.99204735
Cr       1.48175000       2.68209000       1.78033000       0.97889124       0.68623709      -0.17964946
Cr       0.29515000       3.48100000       4.41689000       1.78994031      -1.10800662      -0.11456749
Cr      -0.89360000       6.21590000       5.93872000       0.16753870       1.02673582      -0.76609843
Cr       0.97783000      -0.74704000       2.78726000       2.27114979       0.05012497       3.22764292
O        0.01230000       1.71792000       0.77063000      -0.14150499       0.62741905       1.15814321
O        1.92575000       4.39953000       5.34602000      -1.00093554      -0.49923402      -1.11616116
O        2.79330000       7.15794000       1.58140000      -2.30324805      -0.06436917      -0.36338429
O       -0.43020000      -0.78453000       4.28524000      -0.07153225      -0.40776507      -1.01034959
O        0.12683000       4.04343000       2.59676000       0.23057504       0.00597638      -1.54207672
O        1.87976000       2.27745000       3.73561000      -1.04002566       0.08106176      -1.22036355
O        1.55801000       3.81049000       0.03302000      -0.10614271       1.63134557       0.30112071
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.61858158 magmom=22.003779 free_energy=-99.62371348 stress="-0.05853832293668681 0.012768840984450846 0.02308610178791095 0.012768840984450846 -0.062496131119428706 0.012436633721474912 0.02308610178791095 0.012436633721474912 -0.06155433922806621" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.25935000       5.34760000       1.11229000      -0.34413794      -0.49997571      -1.15715809
Cr       1.90733000       0.82960000       5.07170000      -0.30496688       0.89141850      -0.64753354
Cr       1.38853000       2.72266000       1.77981000       3.31589834      -1.39118289      -1.83663436
Cr       0.38376000       3.37721000       4.42522000       0.23283741      -0.71033111      -0.67721967
Cr       1.84587000      -1.80989000       5.91309000      -0.00692538      -0.33629868      -0.40032690
Cr       1.05036000      -0.70047000       2.83038000      -0.90850228      -0.18313591       1.42055820
O        2.87349000       1.86028000       0.71625000       0.61366697      -1.84282769       2.11638542
O        1.93983000       4.41166000       5.28399000      -0.06898448      -0.60133205      -0.46910584
O        2.70424000       7.28628000       1.60332000       0.26291041      -0.42584806      -0.84245878
O       -0.50371000      -0.91067000       4.16450000       0.44570756       0.26898448       0.91783430
O        0.10596000       3.79310000       2.43112000      -1.62437505       3.23603443       1.40553838
O        1.91727000       2.13358000       3.64805000      -1.01766975       0.35065110      -0.07849540
O        1.64389000       3.93868000       0.04091000      -0.59545894       1.24384358       0.24861629
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.67086901 magmom=21.998584 free_energy=-99.67359611 stress="-0.039679161120361794 0.0029042134366413547 0.0055314643310516096 0.0029042134366413547 -0.051686399417469275 0.018800113744613194 0.0055314643310516096 0.018800113744613194 -0.05759089935660607" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.25719000       5.38309000       1.10248000      -0.08204683       1.26031224      -2.15516109
Cr       1.89571000       0.80061000       5.13177000      -0.36311064       1.32760196       0.74115277
Cr       1.44650000       2.71638000       1.71558000       0.48270145       1.26921167       0.80800198
Cr       0.47877000       3.27324000       4.38464000      -1.74162354       1.53744078      -1.08669977
Cr       1.78483000      -1.77496000       5.87440000      -0.03004766      -2.92306850      -0.13675051
Cr       1.07877000      -0.68418000       2.93862000      -2.31919229      -0.21522999      -2.21382520
O       -0.07539000       1.72658000       0.87745000       0.61491857       0.72477123       0.10615859
O        1.96019000       4.32636000       5.17772000       0.25895303       0.77892469      -0.12184646
O        2.69596000       7.30742000       1.54651000       0.06682962      -0.68203186       1.02459001
O       -0.56648000      -0.87118000       4.20701000       1.97223614       0.03988689       1.48590786
O       -0.03458000       4.02621000       2.37080000       0.74942835      -2.01108099       1.83696795
O        1.75692000       1.99742000       3.63314000       0.46060171       0.75391881      -1.19346276
O        1.60883000       4.17079000       0.02679000      -0.06964792      -1.86065694       0.90496663
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.88837097 magmom=22.0009027 free_energy=-99.88966634 stress="-0.037669852971555735 0.011919697842341653 0.01255116374745193 0.011919697842341653 -0.040749318228973125 -0.016766335715588544 0.01255116374745193 -0.016766335715588544 -0.027538385298600407" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20960000       5.44487000       0.97016000       0.23075047      -1.26284737       0.19423120
Cr       1.87039000       0.84576000       5.22735000      -0.62557555       1.45009872       0.50085118
Cr       1.56998000       2.75193000       1.68383000       0.57830380       1.15136691       1.68237979
Cr       0.48813000       3.25516000       4.26977000      -1.70127849       1.71490031       0.39045882
Cr       1.90825000       6.20314000       5.84669000       0.30102709      -0.07271001       1.01062541
Cr       0.99673000      -0.69509000       2.96506000       1.06239159      -0.10278559       0.64135508
O        0.11252000       1.65843000       0.97589000      -0.66643519       0.67361725      -0.55706591
O        2.02785000       4.36400000       5.10899000      -0.62025806      -0.21207781      -0.31711163
O        2.77951000       7.16120000       1.67676000      -1.68507804       0.98971888      -0.41969162
O       -0.47042000      -0.73087000       4.44018000       0.53417441      -1.15739917      -1.45274402
O       -0.02182000       4.12255000       2.52137000       0.98058818      -1.50773362      -0.61520437
O        1.66822000       1.93997000       3.55133000       0.98078955       0.11953564      -0.14682035
O        1.54806000       4.19632000       0.16488000       0.63060023      -1.78368414      -0.91126358
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.5032543 magmom=22.0018703 free_energy=-99.50842717 stress="-0.05064053843170398 0.009406871973000394 0.017167514631605343 0.009406871973000394 -0.04722666120431758 -0.0005446495902332418 0.017167514631605343 -0.0005446495902332418 -0.08693532607563063" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14548000       5.43482000       0.82035000       0.85896850      -2.17697963       2.23149237
Cr       1.84147000       0.94867000       5.33593000       0.00463718      -0.72925134      -2.38224863
Cr       1.73854000       2.82543000       1.75632000      -0.97593950      -1.18287534       0.44913845
Cr       0.41194000       3.33271000       4.15814000      -0.13035435      -1.32521547       2.32613714
Cr       1.87483000       6.06144000       5.87405000       0.57894194       4.25751275       1.06041873
Cr       0.94981000      -0.72168000       3.01641000       1.04772091       0.07862582       0.86091974
O        0.19242000       1.77284000       0.91237000      -0.21936722      -0.81339711       1.12171283
O        1.97950000       4.37266000       5.08089000      -0.61335469      -1.04165174      -1.65861251
O        2.67451000       7.05182000       1.77764000      -0.78249747       0.71546040      -1.60227669
O       -0.42423000      -0.67994000       4.45366000      -0.67187624      -0.98218743      -0.01226952
O        0.18775000       3.99643000       2.47550000       0.26381489       1.04868480      -1.87783466
O        1.73589000       1.93546000       3.53775000       0.30162729       1.23971714       0.66844742
O        1.56130000       4.01658000       0.20701000       0.33767876       0.91155714      -1.18502469
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.56108568 magmom=21.994677 free_energy=-99.5701896 stress="-0.09159179190664173 0.010412347286449682 0.01962515413831209 0.010412347286449682 -0.0568516495044839 -0.015309330595370027 0.01962515413831209 -0.015309330595370027 -0.08070201224471643" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10782000       5.32869000       0.77850000       0.59045243      -0.04343220       0.62236359
Cr       1.86082000       0.99291000       5.32979000       0.67275914      -1.52158794      -1.79041261
Cr       1.85366000       2.82734000       1.85000000      -1.15109569      -1.17917155      -2.11016937
Cr       0.33385000       3.37510000       4.14822000      -0.04937234      -0.38504627       0.66361163
Cr       1.90030000       6.10112000       5.94852000       0.45126735       1.90834250       0.17030562
Cr       0.94999000      -0.75672000       3.09554000      -0.98144393      -0.48374303      -1.66864545
O        0.17435000       1.80381000       0.91612000       0.78644905      -1.80592609       0.61977065
O        1.80054000       4.28787000       4.98050000       0.47960792       2.26787359       0.77361523
O        2.54339000       7.02974000       1.65241000       0.35237132       0.30407454       0.05702662
O       -0.58291000      -0.70585000       4.38617000       0.40069975      -0.68233593       0.82910801
O        0.39347000       4.01758000       2.19231000      -1.00220556       0.79211772       2.48330018
O        1.84529000       2.12176000       3.68310000      -0.20022801      -0.17223967      -0.74459084
O        1.58883000       3.95301000       0.01881000      -0.34926143       1.00107433       0.09471673
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.05671307 magmom=22.0013753 free_energy=-100.06514428 stress="-0.05786227161629046 -0.0191870429520126 -0.006608565118565486 -0.0191870429520126 -0.05532909332788587 -0.02591006994551696 -0.006608565118565486 -0.02591006994551696 -0.07179206458059934" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08423000       5.24455000       0.77730000       0.23477028       1.85018259       0.07746487
Cr       1.93973000       0.92651000       5.23305000      -0.35790090       0.01206581       0.06815507
Cr       1.88972000       2.75457000       1.82286000      -1.29396905       0.11129056      -0.97290783
Cr       0.27814000       3.42979000       4.19914000       1.22548510       1.76544960       1.13553275
Cr       3.10009000       8.09180000       0.00891000      -0.00917373      -0.85553137      -0.47246288
Cr       0.89708000      -0.82552000       3.07373000      -1.48264183      -0.78216667      -2.25345352
O        0.23862000       1.63672000       0.96684000       0.85975750       1.55597815       0.42544460
O        1.73556000       4.49545000       5.05197000       0.62264034      -0.44122289      -0.33664437
O        2.59007000       7.00705000       1.57793000      -0.30745608       0.19872409       1.72399733
O       -0.74185000      -0.75554000       4.39730000       1.73717620      -0.71410556      -0.10346080
O        0.39573000       4.11710000       2.30949000      -0.21543903      -1.28836146       0.88409975
O        1.86882000       2.25660000       3.72155000      -1.03036783      -1.33649426      -0.81715603
O        0.41373000       2.23895000       5.87003000       0.01711902      -0.07580859       0.64139106
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86752778 magmom=22.0002576 free_energy=-99.8739094 stress="-0.06637512000200071 -0.015807245918589303 -0.018476252172010224 -0.015807245918589303 -0.04923055814571527 -0.030317036623431923 -0.018476252172010224 -0.030317036623431923 -0.07132908719697628" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05859000       5.26673000       0.78958000       0.49875640       0.69674166       1.69678100
Cr       2.02227000       0.85432000       5.13939000       0.04828190       1.75633403       0.01370790
Cr       1.86251000       2.67637000       1.75526000      -0.19376661       2.11367957       1.83144740
Cr       0.27868000       3.56529000       4.29660000       0.59584545      -0.98480316      -0.47552716
Cr       2.95827000       0.07083000       0.06938000      -0.06602431      -1.25003171      -0.12140356
Cr       0.98414000       7.16737000       2.96017000       2.46817246      -0.11564282       2.43583739
O        0.38743000       1.73200000       0.99686000      -0.48713474      -0.08174017      -0.88025453
O        1.82449000       4.61590000       5.16412000      -0.43077248      -1.22308407      -0.88169070
O        2.66129000       6.97271000       1.73138000      -2.72929828       0.69454848      -2.17433514
O       -0.71734000      -0.84707000       4.36043000       0.22256470      -0.74867426      -0.38575364
O        0.29322000       4.02611000       2.45091000      -0.00265803       0.11086007      -2.02778768
O        1.75431000       2.19096000       3.64461000       0.36875920       0.33578865       0.49043493
O        0.37705000       2.37326000       5.88682000      -0.29272567      -1.30397627       0.47854378
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.00697623 magmom=22.0033113 free_energy=-100.01490563 stress="-0.06545908404132919 -0.009820973983594406 0.010197168581727442 -0.009820973983594406 -0.05397542423058182 -0.017421067432667407 0.010197168581727442 -0.017421067432667407 -0.06593474321654513" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03980000       5.32452000       0.87859000       0.57871035      -0.92047670      -0.16131706
Cr      -0.88269000       0.86292000       5.04413000       0.36671598       1.25061021       0.47861559
Cr       1.82925000       2.68521000       1.78615000      -1.10225614       1.38174828      -0.42028638
Cr       0.31734000       3.64755000       4.33592000       0.41756392      -2.56698671      -1.36369547
Cr       0.02119000       0.06867000       0.09941000      -0.23207922      -1.10320839      -0.99411051
Cr       0.98084000       7.05474000       2.96239000      -0.21739674       0.14434681       0.41642970
O        0.35232000       1.84516000       0.81851000      -0.40409977      -1.07309040       0.47889279
O        1.86243000       4.51070000       5.22081000      -0.52066250       1.31449666      -0.43975989
O        2.44089000       7.00318000       1.63328000      -0.08847357       1.20934793       0.09362731
O       -0.71095000      -0.94338000       4.25901000      -0.08199291      -0.33215062       0.86621010
O        0.18140000       3.96832000       2.25134000       1.02277261       0.35601601       2.27348235
O        1.73095000       2.18909000       3.68500000       0.28683600       1.02003095      -0.51794520
O        1.48155000       4.21277000       0.03233000      -0.02563801      -0.68068403      -0.71014332
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.77240686 magmom=22.0006268 free_energy=-99.77548997 stress="-0.05095257926010551 -0.015439945240024816 0.020961868094936068 -0.015439945240024816 -0.062298076569212164 -0.0021502890413416273 0.020961868094936068 -0.0021502890413416273 -0.05992296097296791" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02066000       5.33744000       0.96924000       0.48347125       0.58477997      -1.00489331
Cr      -0.77684000       0.91605000       4.94555000       0.19085207      -0.12813899       1.43976725
Cr       1.74753000       2.76720000       1.80470000      -0.84505935       0.22673311      -2.41997993
Cr       0.37703000       3.59993000       4.29348000      -0.77452832      -0.52783051       1.41263243
Cr       0.06402000       0.00815000       0.06374000      -0.29579301      -0.47605532      -0.43463260
Cr       0.99138000       6.95042000       3.03189000      -1.46482438       0.61517338      -0.87532813
O        0.14035000       1.80443000       0.63955000       0.58120219       1.40032816       2.48097842
O        1.84987000       4.51937000       5.24475000       0.41334784      -0.66924054      -1.21797672
O        2.20428000       7.14928000       1.50458000       0.67106933      -0.45621107       1.06042768
O       -0.75147000      -1.01013000       4.26854000       0.76206979       0.22494355       0.46603361
O        0.20767000       3.99129000       2.36142000       0.34643803       0.20401226       1.12939073
O        1.83124000       2.36770000       3.72736000       0.29662372      -0.43760049      -0.93024767
O        1.47305000       4.17323000       0.14757000      -0.36486916      -0.56089351      -1.10617177
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.54999224 magmom=22.0001244 free_energy=-99.55007383 stress="-0.06565655596539335 -0.015647580163466582 0.027154266942352828 -0.015647580163466582 -0.057454008006955444 0.002871750111858829 0.027154266942352828 0.002871750111858829 -0.0479999495633634" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00005000       5.34457000       0.99768000       0.41616234       1.24873828      -0.47248119
Cr      -0.66599000       0.94993000       4.88608000      -0.25362228      -0.99234960       2.03299553
Cr       1.59835000       2.86575000       1.69596000       0.36758449       0.44758614       0.56262284
Cr       0.41835000       3.49984000       4.31995000       1.04095289       0.68777950       1.75072886
Cr      -0.87388000       6.17280000       6.01787000      -0.50602483       1.21220553       1.91369256
Cr       0.93715000       6.88816000       3.09412000      -0.10602087       0.69576188      -1.16427305
O        0.03434000       1.92147000       0.80339000       1.13090397      -0.59470948      -0.31630725
O        1.93757000       4.44412000       5.17428000      -0.30931559      -0.12067746       0.14931528
O        2.12150000       7.21755000       1.54093000       1.00029860      -1.01729428       0.31062415
O       -0.71215000      -1.02323000       4.34644000      -0.29308439       0.64330242      -0.32298036
O        0.30966000       4.13606000       2.57327000      -0.31844607       0.67095461      -1.77503339
O        2.01039000       2.43462000       3.67967000      -1.74233729      -2.20376419      -1.48340783
O        1.43530000       4.18192000       0.16284000      -0.42705097      -0.67753336      -1.18549616
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.00643632 magmom=22.0002085 free_energy=-99.00866657 stress="-0.058851157847328396 -0.001966076891339944 0.008400213231971786 -0.001966076891339944 -0.0652035366724033 0.004390774468102886 0.008400213231971786 0.004390774468102886 -0.05699709720792351" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01755000       5.39770000       0.97157000       0.19069605       0.51909614      -1.02781833
Cr      -0.58303000       0.91041000       4.89763000      -0.43210393      -0.71852947       1.67335958
Cr       1.46539000       2.96919000       1.59974000       2.79705300       0.31334031       2.68145881
Cr       0.50472000       3.40466000       4.40705000      -0.28039456       0.35489058      -2.74020205
Cr       0.25455000       8.03178000       0.01141000      -0.46818578       1.06057638       1.76808162
Cr       0.87337000       6.88537000       3.12020000       0.67861768       0.35466270      -1.42925363
O        0.09774000       1.95471000       0.91212000      -1.25064351      -1.30836647      -1.80584098
O        2.00407000       4.36864000       5.22397000      -0.43885963       1.10416699      -0.87594009
O        2.24789000       7.05599000       1.63489000       0.20089941       0.74842937       0.35220497
O       -0.72835000      -0.94741000       4.38790000      -0.93209278      -0.61216045      -0.14990882
O        0.38466000       4.43538000       2.50078000       0.29791915      -2.32052628       2.26714549
O        1.99525000       2.14812000       3.49174000      -0.74744021       1.78555451      -0.03223891
O        1.34194000       4.24064000       0.07057000       0.38453512      -1.28113432      -0.68104766
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.90522511 magmom=21.9954997 free_energy=-98.91225792 stress="-0.05121036352972853 0.0015856720332939713 -0.019732386853962513 0.0015856720332939713 -0.060723666459083066 -0.013200858760152994 -0.019732386853962513 -0.013200858760152994 -0.06189092549639581" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02429000       5.44184000       0.88499000       0.93299232      -1.96661780       0.63249869
Cr      -0.55644000       0.80068000       4.95911000      -0.61728979       0.52746767      -0.08618258
Cr       1.46240000       3.03839000       1.64045000       1.47709613      -1.46142190       0.49946023
Cr       0.58721000       3.32742000       4.32812000      -1.44228042       1.92525866      -1.00534677
Cr       0.00586000       0.01353000       0.11135000      -0.47733762      -0.49387675       0.15316574
Cr       0.84248000       6.92566000       3.09849000       1.22030027      -0.31123816       0.98224353
O        0.05363000       1.84425000       0.71081000      -0.07935479       1.76490468       1.22803872
O        1.98411000       4.48576000       5.23113000       0.01126256      -0.49066619      -1.41075113
O        2.47741000       6.96386000       1.83990000      -2.24155798       2.14058782      -1.87626898
O        2.08463000      -0.96191000       4.36668000       0.66058761      -0.95047074       0.26890205
O        0.50682000       4.46196000       2.64396000      -0.15022749      -1.00154343      -0.53529133
O        1.87970000       2.10701000       3.40665000       0.28816265       0.93080088       0.81587692
O        0.15705000       2.33644000       5.99654000       0.41764654      -0.61318475       0.33365491
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.75879702 magmom=22.0013096 free_energy=-98.76393083 stress="-0.0654379826723783 0.011179882378420986 0.006044359862874864 0.011179882378420986 -0.059208328100951405 0.0158797298061285 0.006044359862874864 0.0158797298061285 -0.08556592996067267" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01834000       5.39592000       0.79833000       0.36043825       0.41458774       1.05374446
Cr      -0.58830000       0.69375000       5.00673000       0.08589637       1.96717541      -1.77429731
Cr       1.55860000       3.00092000       1.71943000       1.20826666      -1.03225502      -1.93772303
Cr       0.58185000       3.36401000       4.18720000      -3.03248303       1.72544799       4.29621048
Cr       2.89459000       0.09786000       0.21200000      -0.27298084      -1.94341462      -1.01722523
Cr       0.86176000       6.95241000       3.11970000      -0.70688282      -0.34958952      -0.92091590
O       -0.01602000       1.96048000       0.64905000      -0.04454890       0.05726883       3.24426395
O        1.94106000       4.52494000       5.12537000       0.11895872      -0.86516048       0.04798491
O        2.44109000       7.17651000       1.78371000      -0.80395360      -0.59280306      -0.60309901
O        2.03651000      -1.11368000       4.38760000       1.75284035       0.36151206       0.66369704
O        0.63471000       4.35460000       2.65301000      -1.18553573       1.49831635      -2.26112702
O        1.86506000       2.24207000       3.51293000       2.01763389      -1.61229976      -0.58099258
O        0.17457000       2.23110000       6.01614000       0.50235067       0.37121407      -0.21052077
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.98730695 magmom=21.9969952 free_energy=-98.98827419 stress="-0.07107920768631404 -0.0010021471410550744 0.038380047294221516 -0.0010021471410550744 -0.03784268530876818 -0.003217100601197339 0.038380047294221516 -0.003217100601197339 -0.05740982912612477" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08135000       5.36143000       0.75140000      -0.40222991       0.54340736       1.70248224
Cr      -0.65072000       0.67371000       4.98409000       0.15483731       2.94743867       0.81562150
Cr       1.69887000       2.90632000       1.72570000      -1.84250201       2.50690316       1.01472833
Cr       0.44149000       3.49211000       4.21287000       0.42667640      -0.05935933       0.58161173
Cr       2.78190000       0.11851000       0.23551000       0.70810008      -0.72205585      -1.53997074
Cr       0.87296000       6.95898000       3.12344000       0.53887702      -0.38906393      -1.54346030
O        0.02036000       1.99873000       0.94033000       2.94872645      -2.46969458      -1.59185043
O        1.90638000       4.39972000       5.11953000       0.07773214       1.68716172      -0.93351030
O        2.26951000       7.21674000       1.63552000      -0.19399854      -1.63098842       2.01240733
O       -0.73614000      -1.17206000       4.45139000      -0.80480976       0.07965738      -0.32702739
O        0.59688000       4.43752000       2.38099000      -0.73015984      -1.37325690       2.07744976
O        2.11746000       2.22253000       3.59876000      -1.50366013      -0.20876371      -1.06945726
O        1.38868000       4.11342000       0.01284000       0.62241079      -0.91138557      -1.19902447
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86510148 magmom=21.9976592 free_energy=-99.86979326 stress="-0.04463060530386189 -0.024468871116359762 0.020980409639990674 -0.024468871116359762 -0.0151698849580417 -0.010431617303000408 0.020980409639990674 -0.010431617303000408 -0.03459318392895126" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11023000       5.34424000       0.77317000       0.09797967       0.91522809       0.87192129
Cr      -0.70645000       0.76241000       4.96690000       0.41812403       1.42499105       1.23504448
Cr       1.76768000       2.89105000       1.75689000       1.11211319       0.42022218      -0.16569301
Cr       0.33941000       3.58279000       4.25931000       1.31880860      -0.96268550      -0.13433754
Cr       2.72634000       0.10039000       0.18362000      -0.03942233      -2.11801460      -0.56365609
Cr       0.89677000       6.95396000       3.08198000      -0.46267301      -0.43199791       0.21275086
O        0.36088000       1.74139000       0.97046000      -0.52124690       1.72356050      -0.02968340
O        1.86988000       4.50253000       5.11263000      -0.60012587       0.82228100      -0.00243721
O        2.22268000       6.97488000       1.73609000       1.78533001       0.28801100      -1.49490573
O       -0.69223000      -1.10415000       4.42859000      -1.16446016       0.19557681       0.18467854
O        0.45258000       4.34860000       2.40704000      -0.31093147      -1.91255854       0.76447420
O        2.13029000       2.19758000       3.58487000      -1.36382720       0.48244061      -0.58513666
O        0.37045000       2.29284000       5.95804000      -0.26966855      -0.84705467      -0.29301972
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.09585565 magmom=21.9995735 free_energy=-100.09744269 stress="-0.04064955390965596 -0.031351499065639096 -0.01463588393787153 -0.031351499065639096 -0.06315125345511471 -0.030873653814334826 -0.01463588393787153 -0.030873653814334826 -0.05295333889445805" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12480000       5.33809000       0.81968000       1.47876719      -1.49746920      -0.19465880
Cr      -0.73530000       0.88158000       4.98240000       0.52600673       0.55440565       1.44084780
Cr       1.86704000       2.87719000       1.77885000      -0.11510721      -0.72916289      -1.17090955
Cr       0.31572000       3.60132000       4.28854000       0.31061075      -1.30148940       0.69068599
Cr       2.70539000       0.01670000       0.11429000       0.44856001       1.57726573       0.65233794
Cr       0.90820000       6.93916000       3.06280000      -0.18511062       0.08926096      -0.03459343
O        0.52728000       1.74574000       0.89412000      -1.16556492       0.60744507       0.00557570
O        1.75804000       4.65066000       5.16283000       0.35105605      -2.12617583      -1.49701464
O        2.45448000       6.81489000       1.69573000      -1.44419186       2.42760404       1.05364925
O        2.12761000      -0.93559000       4.38868000       0.30080947      -0.64427581      -0.24539524
O        0.28680000       4.04175000       2.44742000       0.83184594       1.26368934      -1.39924071
O        1.92433000       2.24938000       3.58527000      -0.45665364       0.49247574       0.70153764
O        0.45662000       2.32440000       5.94343000      -0.88102789      -0.71357340      -0.00282195
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.86126528 magmom=22.0008603 free_energy=-99.8676811 stress="-0.08740914796901274 -0.02199790476433346 -0.031417700768137435 -0.02199790476433346 -0.07062909195585237 -0.028203793142005135 -0.031417700768137435 -0.028203793142005135 -0.07776266042241328" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15941000       5.27322000       0.85059000       0.09398720       1.53630062       0.05655948
Cr      -0.75877000       0.98248000       5.04871000       0.10905223      -0.17767283       0.33423421
Cr       1.93803000       2.78986000       1.74446000      -1.92146727      -0.07826394      -0.33499556
Cr       0.30656000       3.55286000       4.31467000      -0.85713289      -0.43181000      -0.99095972
Cr       2.73337000       0.00264000       0.06085000       0.54847737       0.96609539      -0.06076772
Cr       0.90920000       6.94656000       3.06387000      -0.29568204       0.49840349      -0.23014549
O        0.40556000       1.87959000       0.77595000      -0.07654544      -1.49531163       0.76205004
O        1.73898000       4.48677000       5.14091000       0.92851064       1.17157410       0.22638510
O        2.54582000       6.96400000       1.74612000      -1.76691670       0.16598651      -1.24432180
O        2.03460000      -0.80797000       4.32552000       1.49366514      -1.00987862       1.28625548
O        0.31000000       4.00525000       2.25769000       0.99798692       0.17149669       2.39790184
O        1.71694000       2.36554000       3.73234000       1.29915576      -0.69120452      -1.51159108
O        0.45199000       2.34389000       6.02011000      -0.55309093      -0.62571526      -0.69060478
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.85643299 magmom=21.9948211 free_energy=-99.86808279 stress="-0.06537981957176241 0.006582615950751989 0.021474953206357512 0.006582615950751989 -0.060063735184170276 -0.011320806055042393 0.021474953206357512 -0.011320806055042393 -0.08182414027770589" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16227000       5.26897000       0.88404000      -0.29563056       1.91137208       1.02288083
Cr      -0.82541000       1.04160000       5.13866000      -0.38425845      -1.03921067      -1.12367769
Cr       1.89729000       2.66173000       1.68954000      -2.10446139       2.18075099       1.84655875
Cr       0.26765000       3.48910000       4.27694000       1.84138724       0.79275766      -0.15408421
Cr       1.67429000      -1.81685000       6.01427000       0.04715239      -1.09832900       0.21194884
Cr       0.90130000       7.01498000       3.06238000       0.10012815       0.77215560      -0.39425599
O        0.20471000       1.80544000       0.72289000       2.03326307      -0.55633875       1.06610989
O        1.87700000       4.44625000       5.21890000      -0.81636918       0.63953425      -0.80447911
O        2.41996000       7.11924000       1.66762000      -0.13677751      -0.76895390       0.19347644
O       -0.80638000      -0.80610000       4.39535000       0.13421533      -0.48981204      -0.98271604
O        0.50621000       4.07317000       2.37987000      -0.87584832      -0.76508899       0.41247150
O        1.79354000       2.33976000       3.69414000       0.34470730      -1.07633888      -0.63181122
O        1.57247000       4.20908000       0.02600000       0.11249192      -0.50249836      -0.66242201
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.68749154 magmom=21.9960753 free_energy=-99.6986082 stress="-0.045395529241765854 -0.01612316085170527 0.026658497456212543 -0.01612316085170527 -0.039364941262535744 -0.00615396300382715 0.026658497456212543 -0.00615396300382715 -0.07165304565652542" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12082000       5.36967000       0.96247000       0.69135568      -0.07694294       0.25332989
Cr       2.03169000       1.01384000       5.18513000      -0.11390578      -1.45512315      -0.44877383
Cr       1.73375000       2.60375000       1.71734000       0.39113558       1.33028760       0.48255376
Cr       0.30802000       3.46088000       4.22564000       1.27548113      -0.29014856       2.44595019
Cr       1.80598000      -1.82500000       5.93677000      -0.26013102      -0.99605259       0.93777384
Cr       0.71303000      -0.93254000       3.03519000       1.19870166       0.23147381      -1.32047054
O        0.25064000       1.67745000       0.84649000      -0.32641630       1.40583573       0.34878988
O        1.93917000       4.50931000       5.24545000      -0.52971053      -1.67808469      -1.84723474
O        2.31184000       7.10022000       1.61910000       0.69054033       0.05695077       0.08741574
O       -0.63598000      -0.84731000       4.32587000      -1.60890176       0.58869046       0.74733919
O        0.55986000       4.05513000       2.52961000      -0.60874133       0.79073298      -2.53623128
O        2.05066000       2.07931000       3.55411000      -0.64329671       0.54868594       0.65291704
O        0.46470000       2.32540000       6.01701000      -0.15611095      -0.45630536       0.19664085
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.58548721 magmom=21.9992868 free_energy=-99.59352205 stress="-0.05596066676795688 -0.0017029429493470238 0.003064489211900002 -0.0017029429493470238 -0.042422095602707224 -0.019989709651366795 0.003064489211900002 -0.019989709651366795 -0.047397025948414086" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08889000       5.43546000       1.01997000       1.05313156      -2.23489072      -2.11442215
Cr       1.90425000       0.90919000       5.19675000      -0.20487071       0.90654185       0.64087759
Cr       1.60285000       2.61362000       1.79585000       2.06949609       1.75812021       0.03799634
Cr       0.41673000       3.43768000       4.26437000       0.12549445      -1.23466010      -0.49417509
Cr      -0.86429000       6.20888000       5.89887000      -0.49309378      -0.15007919       0.81070687
Cr       0.76459000      -0.76659000       2.96415000      -0.60006959      -0.06029029       0.28495898
O        0.19130000       1.74068000       0.93400000      -1.11112025      -1.41052174      -0.96751635
O        1.91580000       4.37808000       5.07423000       0.22182680       1.19052917       0.52714559
O        2.40651000       7.05662000       1.64609000      -0.00128053       1.95374575      -0.53499639
O       -0.75616000      -0.76441000       4.29384000       0.67645210      -0.89525824      -0.01762921
O        0.46845000       4.12802000       2.33722000      -0.77052343      -1.21520835       2.23768672
O        2.19288000       1.92269000       3.56991000      -0.73948161       1.57575701      -0.29786153
O        1.68287000       4.14439000       0.00857000      -0.22596111      -0.18378536      -0.11277137
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.91226182 magmom=21.9917351 free_energy=-99.92180073 stress="-0.03996831045882155 -0.005110004130450985 -0.012059830476337956 -0.005110004130450985 -0.055484596189908406 -0.014559363859867403 -0.012059830476337956 -0.014559363859867403 -0.060460381116803276" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08712000       5.37817000       0.96985000       0.43013745      -0.54434601      -0.41088449
Cr       1.81255000       0.85593000       5.22351000       0.04116770       1.28830733      -0.32497775
Cr       1.58717000       2.68660000       1.86051000       0.62411207       0.24370940      -1.91439415
Cr       0.49730000       3.38336000       4.28395000      -0.41829359      -0.51680366       0.39635273
Cr      -0.79355000       6.15347000       5.88970000      -0.65472916       0.87891089       0.52767276
Cr       0.79223000      -0.64058000       2.91713000      -0.00694388      -0.32028476       0.57658973
O       -0.02101000       1.67112000       0.82515000       0.80828501       0.20278842       1.50200820
O        1.97482000       4.40272000       5.05768000       0.45445381      -0.21166155       0.36208117
O        2.61436000       7.19182000       1.62353000      -1.19330108      -0.02367789      -1.12220242
O        2.13888000      -0.75661000       4.27971000       2.01335305      -1.05975447      -0.31755531
O        0.24342000       4.02687000       2.42271000      -0.22353815      -0.30270435       0.35453097
O        2.16574000       2.03686000       3.62505000      -1.22850974       0.32605742       0.30679352
O        1.74782000       4.10248000       0.01477000      -0.64619350       0.03945925       0.06398504
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.64561042 magmom=21.9985294 free_energy=-99.65172708 stress="-0.06417410177828005 0.006970171637146885 0.015267892804343687 0.006970171637146885 -0.07736176512681267 -0.004300814766950818 0.015267892804343687 -0.004300814766950818 -0.07688131383947855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10441000       5.28448000       0.89290000       0.43800678       1.09456036       1.68369696
Cr       1.76045000       0.85522000       5.23896000       0.38239787      -0.70810432      -1.04998429
Cr       1.60033000       2.75716000       1.82649000      -0.89543768      -0.86949378      -0.72066028
Cr       0.53068000       3.32645000       4.31598000      -1.65326110       1.69376180       1.37007892
Cr      -0.78953000       6.16106000       5.89173000      -0.01499807       1.52255850      -0.38866707
Cr       0.81233000      -0.55535000       2.90543000       1.10207110      -0.98260491      -0.22347035
O       -0.06116000       1.68376000       0.85662000       1.11291661       0.48987550       1.14226667
O        2.13810000       4.38946000       5.19510000      -0.87195624      -1.00811264      -1.13956101
O        2.73372000       7.24092000       1.48915000      -1.68458686      -0.99978535       1.15280829
O       -0.68454000      -0.84257000       4.21003000       0.34728085       0.78314431       0.42020288
O        0.02386000       3.88979000       2.49242000       1.56368794       1.33048769      -0.88238075
O        1.89825000       2.18949000       3.78191000       0.87338570      -1.61299507      -1.51636177
O        1.71011000       4.08517000       0.06115000      -0.69950690      -0.73329207       0.15203178
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.55991948 magmom=21.9997851 free_energy=-99.56830271 stress="-0.07831214338114002 0.017361456957292784 0.024103297781687367 0.017361456957292784 -0.059636583139186454 -0.002073852537144699 0.024103297781687367 -0.002073852537144699 -0.07879701843168976" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14682000       5.23034000       0.89358000      -0.10027930       1.24003763       1.70321278
Cr       1.75752000       0.81408000       5.20443000      -0.08462770       0.06118304       0.51278336
Cr       1.56427000       2.77863000       1.74843000       1.14583569       0.32855765       2.01899085
Cr       0.47498000       3.36568000       4.40607000       0.08600307      -0.66862471      -1.86080733
Cr      -0.81473000       6.24456000       5.88422000      -0.11760058      -0.88280286       0.65323416
Cr       0.88833000      -0.54009000       2.88499000       1.33778635      -1.20784887      -1.40916612
O        0.14680000       1.79828000       0.97949000      -1.02600812      -1.93723171      -0.91993372
O        2.11790000       4.28812000       5.26333000      -1.65918550       2.46551140      -1.20943145
O        2.67199000       7.06451000       1.51423000      -0.76685048       1.19022155       0.39230720
O       -0.49914000      -0.75029000       4.19965000      -0.88280002      -0.04482744       1.39182722
O        0.07903000       3.98181000       2.34510000       0.42259072      -0.67359936       2.17308308
O        1.71315000       2.02981000       3.76593000       0.85397978       0.92928714      -2.22020559
O        1.53338000       4.01523000       0.18041000       0.79115608      -0.79986346      -1.22589444
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.30766886 magmom=22.003924 free_energy=-99.315568 stress="-0.05142130551678064 0.015537054720952273 0.019507034670368847 0.015537054720952273 -0.05783781845083331 -0.029302755714009733 0.019507034670368847 -0.029302755714009733 -0.05639610078374701" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18538000       5.25815000       0.98765000       0.05901063       0.74170829      -0.68283922
Cr       1.78476000       0.79142000       5.17351000      -1.56730253       3.09513191       0.63454356
Cr       1.57916000       2.78368000       1.77020000       1.52064372      -0.81530052       0.36794292
Cr       0.36924000       3.42521000       4.41657000      -0.67600585      -0.98396136      -1.68160095
Cr      -1.05196000      -1.80390000       5.90595000      -0.31873702      -1.69066236       0.24187452
Cr       1.03099000      -0.62180000       2.81123000      -1.81777007       0.26626924       2.26534824
O        0.21552000       1.66206000       0.90042000      -0.93322299       1.17905454       0.84147404
O        1.81241000       4.49606000       5.18662000       0.99225146      -1.05072734      -0.12455770
O        2.59859000       6.97699000       1.68762000       1.62999526       0.69544351      -1.92542184
O       -0.49494000      -0.59938000       4.31481000       1.60705392      -2.83619917      -1.46840301
O        0.25934000       4.02392000       2.47563000      -0.91091059      -0.57251802       0.35116113
O        1.71391000       1.88777000       3.46155000      -0.18485856       1.08512666       1.83986116
O        1.41941000       3.85080000       0.08046000       0.59985261       0.88663462      -0.65938286
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.47847483 magmom=21.9523505 free_energy=-99.48447977 stress="-0.05759216932270943 -0.0034042025075092146 -0.004423936941771658 -0.0034042025075092146 -0.044564120967105804 -0.006660688691532304 -0.004423936941771658 -0.006660688691532304 -0.07412393133080475" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20450000       5.33096000       1.06139000       0.30210679      -1.78939842      -1.55107381
Cr       1.78703000       0.88864000       5.16402000      -0.78671874      -1.53987378      -1.14347288
Cr       1.67669000       2.74964000       1.82545000      -0.44822876      -0.28452737      -1.47922424
Cr       0.24445000       3.44609000       4.34266000      -0.21402771      -1.94283394       0.72326792
Cr      -0.91880000       6.25540000       5.93334000      -0.03653722      -0.30691967      -0.51418709
Cr       1.09971000      -0.72146000       2.83983000       0.37376174       0.16915687       2.06377868
O        0.04854000       1.70320000       0.84872000       0.59963185       0.87623310       0.81863412
O        1.69609000       4.49786000       5.11513000       0.79855358      -1.19750018       0.31728616
O        2.82982000       7.06282000       1.63369000      -1.00116759       1.45996002      -0.69139218
O       -0.43637000      -0.74965000       4.24983000       0.25215213       0.06292403       0.59992259
O        0.28373000       3.97121000       2.58409000      -0.56236664       1.28548044      -2.63535820
O        1.69538000       1.95060000       3.52787000       0.08255456       1.04804742       1.66290130
O        0.25064000       1.94850000       5.83983000       0.64028599       2.15925148       1.82891764
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.41935794 magmom=21.9997647 free_energy=-99.42442648 stress="-0.07615959948227952 0.0011846337384777798 0.0012325461527543469 0.0011846337384777798 -0.06632661032523288 0.017623432144391958 0.0012325461527543469 0.017623432144391958 -0.10413531925505926" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21196000       5.35171000       1.06778000      -0.10957445       0.38431695      -3.02861796
Cr       1.78447000       0.90872000       5.13069000      -0.45931258      -0.75179749       0.34551239
Cr       1.71999000       2.71890000       1.82326000      -2.08725121       1.04050843      -0.69364905
Cr       0.14354000       3.41079000       4.29575000       2.31228414      -0.86234146      -0.15540768
Cr       2.01503000       6.19821000       5.92632000       0.56701631       1.70316229      -2.13146296
Cr       1.15441000      -0.80877000       2.94989000       0.33916452       0.20800178      -0.62052185
O        0.04701000       1.86648000       0.84670000       1.60009231      -2.31579861      -0.28806478
O        1.76368000       4.32076000       5.14586000      -1.19040620       1.82930821       0.95733343
O        0.01789000       7.26767000       1.54458000      -1.82153513      -1.17959614       2.66319669
O       -0.42262000      -0.81614000       4.25260000       0.62378546       0.00073877       1.22865168
O        0.19347000       4.01194000       2.33123000       0.01204194      -1.08462119       2.61391716
O        1.69198000       2.19031000       3.74779000      -0.24422096       0.33797071      -2.34908329
O        0.26065000       2.09508000       5.84268000       0.45791586       0.69014775       1.45819621
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.09363966 magmom=22.0022335 free_energy=-100.09417155 stress="-0.060716358544432456 -0.019911532565036916 -0.003767621797518118 -0.019911532565036916 -0.06187766425557869 -0.004690257380143142 -0.003767621797518118 -0.004690257380143142 -0.07639124750733599" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19831000       5.39317000       0.97808000      -0.17736192      -0.57275558       0.66240668
Cr       1.79234000       0.88978000       5.13026000      -0.39739024       0.74220821      -0.06156914
Cr       1.66018000       2.73985000       1.76373000      -0.14764384       0.37068920      -2.24493202
Cr       0.16240000       3.38452000       4.27319000       0.61744895       1.37161327       1.57999140
Cr       1.99908000       6.20587000       5.87526000       0.33635683       0.86378883       1.60061318
Cr       1.21727000      -0.88250000       3.00941000      -0.92010666       0.17375048       0.25694276
O        0.24762000       1.71476000       0.77170000      -0.97549674       0.68373343       1.54099585
O        1.73119000       4.40001000       5.29976000      -0.30745916      -0.35303792      -2.30709496
O       -0.08023000       7.24552000       1.77775000      -0.41995839      -0.43399384      -1.53703666
O       -0.40926000      -0.77612000       4.39326000       1.16381999      -0.56060999      -0.42736850
O        0.12111000       3.93761000       2.36274000       0.46350651       0.64028921       0.43246248
O        1.66079000       2.36499000       3.61616000       0.07771513      -2.68119099       0.71338266
O        1.42737000       4.06886000       0.00003000       0.68656952      -0.24448431      -0.20879372
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.195409 magmom=21.9966279 free_energy=-100.19672882 stress="-0.04388966513247976 -0.012427167636523287 0.011393757444098138 -0.012427167636523287 -0.05101317557560506 -0.020222010825387274 0.011393757444098138 -0.020222010825387274 -0.05806655487429766" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14792000       5.42251000       0.91160000       0.25994923      -1.94490621       0.69091084
Cr       1.81613000       0.90840000       5.14578000      -0.27359080      -0.04620522       0.08056486
Cr       1.58875000       2.77725000       1.61237000       1.02573496       0.00602451       2.84925913
Cr       0.23280000       3.44181000       4.31074000      -0.32294245      -1.40145464      -1.06245779
Cr       2.01973000       6.25635000       5.90994000       0.08992546      -0.19447238       1.29900059
Cr       1.41659000       7.14662000       3.07431000      -1.84311763       0.28218802       0.35031570
O        0.22200000       1.68179000       0.84382000      -1.39945666       1.05169867       0.58189835
O        1.70185000       4.48072000       5.18711000       0.36998794      -0.50068301      -1.20110067
O        2.80516000       7.03208000       1.81246000       0.89260722       1.50873300      -1.16250471
O       -0.33505000      -0.74429000       4.44413000       0.65691082      -0.63133314      -0.39533557
O        0.13179000       3.96720000       2.41850000       0.02673067       0.26420976      -0.54505946
O        1.64361000       2.07248000       3.62010000       0.17050288       1.63303533      -0.52620481
O        1.52103000       4.06893000       0.10721000       0.34675837      -0.02683468      -0.95928647
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.597664 magmom=21.9959376 free_energy=-99.60182744 stress="-0.07435408898334613 0.02552145224761977 0.02184252886708956 0.02552145224761977 -0.05823073877049549 -0.02681183706734563 0.02184252886708956 -0.02681183706734563 -0.051591584764685144" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06460000       5.34084000       0.87151000       0.10661886      -0.21831509      -1.23401810
Cr       1.85951000       0.93245000       5.17145000      -0.11576239      -1.19240613      -0.09901642
Cr       1.55099000       2.82146000       1.61050000      -1.43713261       1.03792529       3.57218246
Cr       0.29828000       3.46075000       4.27920000       0.19409064      -2.09449974      -2.08992839
Cr       0.03389000       0.06400000       0.02419000       0.11351850      -0.97236126      -0.19294987
Cr       1.33222000       7.06888000       3.15132000       0.86192641       0.16478841      -2.12405688
O       -0.08280000       1.83995000       0.93079000       2.57846453      -1.88344182      -1.07889643
O        1.82227000       4.48845000       4.92662000      -0.13734795       1.11368794       1.67645523
O       -0.10478000       6.99217000       1.67781000      -0.46341817       1.99279809       1.19045626
O       -0.30207000      -0.75089000       4.39424000      -0.79472276      -0.38778693       1.68785849
O        0.15575000       4.07657000       2.30753000      -0.34776027      -1.05160220       1.30885969
O        1.68763000       1.94863000       3.64321000      -0.01959048       3.23224988      -2.21799998
O        1.67850000       4.04545000       0.01489000      -0.53888432       0.25896355      -0.39894605
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.60500564 magmom=22.0018861 free_energy=-99.6052874 stress="-0.0643751346580628 0.018436603372261617 0.013228515667278423 0.018436603372261617 -0.07241537483056501 0.0002483502285792435 0.013228515667278423 0.0002483502285792435 -0.09112516162987067" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01676000       5.25441000       0.78603000       0.10337190       3.12354478      -0.45507182
Cr       1.91773000       0.92393000       5.17446000      -0.59551836      -0.26516022      -1.92509073
Cr       1.47885000       2.87864000       1.79721000       1.30650763      -1.06205452      -4.66778873
Cr       0.36607000       3.41368000       4.14102000      -0.76597876       1.88089009       2.42962099
Cr       0.09635000       0.05095000       0.17201000       0.44283510      -0.88691203      -2.33346096
Cr       1.27136000       7.00159000       3.13167000       0.68658601       0.50020119       0.18864468
O       -0.06606000       1.81774000       0.81952000       0.33959631       1.43917747       2.53361655
O        1.97026000       4.58063000       4.96464000      -0.76961359      -1.21310991       0.52062359
O       -0.07004000       7.13579000       1.73534000      -1.26988199      -1.56239306       0.76663703
O       -0.46957000      -0.79910000       4.48586000       0.87164615      -0.73772022      -0.37857614
O        0.10205000       4.07287000       2.30720000      -0.73739827       0.43918240       0.67443518
O        1.77284000       2.29705000       3.47130000       0.90525644      -2.01924201       2.42334906
O        0.55213000       2.21144000       5.82721000      -0.51740856       0.36359603       0.22306131
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.83956998 magmom=21.999859 free_energy=-99.84323501 stress="-0.0672979227759307 -0.024699579101485288 -0.010862506089565828 -0.024699579101485288 -0.05917814266485645 -0.0014111666782848616 -0.010862506089565828 -0.0014111666782848616 -0.08670239640660721" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.92702000       5.33340000       0.71050000       0.05262943      -0.78009620       1.87609683
Cr       1.95972000       0.91124000       5.10968000      -0.92874306      -0.18551169      -0.30455326
Cr       1.46703000       2.87353000       1.77798000       2.00092509       0.42992340      -0.59285510
Cr       0.39052000       3.47418000       4.14077000       0.10139421       1.30704282       2.08237640
Cr       0.15380000      -0.00088000       0.20423000      -0.25044750       0.26129335      -0.56333046
Cr       1.25347000       6.97704000       3.10877000      -0.54588256      -0.04633723       0.98171299
O        0.09068000       1.91662000       0.92878000      -1.19777716      -1.27954935      -0.29753246
O        1.96876000       4.49104000       5.16671000      -0.35551840       1.07074227      -1.81008280
O        2.79302000       6.97913000       1.84419000      -0.43640565       0.58245510      -1.41847100
O       -0.58547000      -0.90764000       4.49364000       1.51522767      -0.15732418       0.07468513
O       -0.02605000       4.14794000       2.31233000       0.57505804      -0.10482148       0.07853817
O        1.94344000       2.30828000       3.65123000      -1.11550355      -1.04765726      -1.51446001
O        0.43793000       2.23382000       5.70313000       0.58504343      -0.05015954       1.40787557
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.79440133 magmom=22.00201 free_energy=-99.80196671 stress="-0.04429917283686281 -0.01748101361385188 0.0028374865610821427 -0.01748101361385188 -0.05496539270185311 -0.0192061012752983 0.0028374865610821427 -0.0192061012752983 -0.06174844520612294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.90638000       5.38287000       0.74351000       0.75978348      -3.05494786      -0.17980633
Cr       1.98238000       0.88815000       5.05257000      -0.62264475      -0.60111508       1.00461581
Cr       1.56026000       2.87344000       1.68898000       0.09951169       0.38088146       0.98528923
Cr       0.39081000       3.60892000       4.25442000      -0.37210385      -2.06645565      -1.28074263
Cr       0.17904000      -0.02915000       0.18191000      -0.51090857       0.51160531      -0.02273232
Cr       1.21050000       6.95464000       3.12997000      -1.03684368      -0.26698719      -0.05000198
O        0.06784000       1.83381000       0.94241000       0.09909400      -0.45822806      -0.69202182
O        1.89283000       4.53104000       5.12963000       0.03566731       1.20985109      -0.60761634
O        2.65231000       6.85614000       1.76993000       0.20436966       3.20194367       0.71895715
O       -0.53975000      -0.97127000       4.45992000       0.81102162       0.26006730       0.14670185
O       -0.03007000       4.19891000       2.26047000       0.98423134      -1.18168122       1.13012383
O        1.95273000       2.15006000       3.66217000      -0.73094015       2.13643385      -1.83422174
O        0.37350000       2.21184000       5.87738000       0.27976189      -0.07136761       0.68145531
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.37740005 magmom=22.0001167 free_energy=-99.38278276 stress="-0.04869156471091605 -0.011402789625576842 0.019918295208967266 -0.011402789625576842 -0.06251239095599216 -0.01385959915512456 0.019918295208967266 -0.01385959915512456 -0.056428265471042384" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.91475000       5.31038000       0.83485000       0.83852767       1.32119631       0.18368592
Cr       1.99359000       0.85505000       5.03051000      -0.52718347       1.10471223      -0.31427070
Cr       1.69052000       2.86914000       1.66736000      -0.96492473      -1.62644647       1.13271521
Cr       0.35439000       3.66315000       4.30017000      -0.45478386      -2.00267898      -2.09607031
Cr       0.15464000      -0.02743000       0.13626000       0.06465087      -0.15674946      -0.30750179
Cr       1.11615000       6.91848000       3.15052000       1.34721130       0.46041488      -1.27316373
O        0.03311000       1.71373000       0.76306000       0.77747723       2.68844968       1.38450977
O        1.83781000       4.73483000       4.97029000      -0.04989330      -1.70097157       0.47811445
O        2.64091000       7.08397000       1.74035000      -0.21475786      -0.80064832       0.15445901
O       -0.45908000      -0.91990000       4.42209000      -0.87312034      -0.37339567       0.43699298
O        0.17106000       4.04991000       2.31910000       0.15724652       0.66634372       0.37190917
O        1.80547000       2.28525000       3.46826000       0.01801427      -0.39936356       2.88913195
O        1.50465000       4.01623000       0.17456000      -0.11846430       0.81913722      -3.04051193
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.7368312 magmom=21.9969598 free_energy=-99.73860578 stress="-0.06255445790362142 0.00516447225766434 0.009766710808816217 0.00516447225766434 -0.05834665195858537 -0.01683184547190217 0.009766710808816217 -0.01683184547190217 -0.06491209077066068" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02828000       5.27538000       0.94312000       0.66744917       1.38478463      -0.89800517
Cr       1.99367000       0.89349000       4.99542000      -0.33697674       1.60408114       0.44710176
Cr       1.77813000       2.77544000       1.72810000      -0.74144899       0.78273213      -0.15019483
Cr       0.27948000       3.61253000       4.23198000      -0.29943259      -0.85324512       1.41378867
Cr       0.09716000      -0.01341000       0.07182000       0.04029093       1.19448084       0.04394279
Cr       1.07310000       6.92107000       3.11055000       1.18278291       0.73461004      -0.26981715
O        0.19946000       1.94351000       0.72877000       0.69951499      -2.05858724       1.49662267
O        1.80850000       4.68193000       4.94062000      -0.51033156      -0.87618669       0.76057846
O        2.69037000       7.16905000       1.75099000      -1.02528004      -0.92854986      -0.35527806
O       -0.58952000      -0.88415000       4.39320000       0.12296760      -1.05236448      -0.09010690
O        0.38263000       3.99988000       2.37528000      -1.24954031       0.58764514      -0.04027515
O        1.67732000       2.37278000       3.74266000       1.43405638      -0.88077818      -1.61691278
O        1.50029000       4.08487000       0.05191000       0.01594827       0.36137765      -0.74144430
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.25680754 magmom=22.0031176 free_energy=-99.26277966 stress="-0.0754831749009129 -0.01828473950354625 -0.029635452929210538 -0.01828473950354625 -0.07389641686375555 0.009179504100276034 -0.029635452929210538 0.009179504100276034 -0.10322390081901263" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04195000       5.30052000       0.99271000       0.33202170      -0.13871855      -3.29045006
Cr       1.99553000       0.98907000       5.00902000       0.58987413      -1.79872748       2.70706595
Cr       1.84492000       2.68479000       1.80267000       0.82192606       1.47781922      -0.04310795
Cr       0.19033000       3.52017000       4.22313000       1.97043806       1.24518678       1.99767953
Cr       0.02023000       0.04979000       0.00325000      -0.23774855      -1.12895437       0.82982773
Cr       1.08298000       6.98635000       3.04264000      -0.82654714       0.26873348      -0.33077216
O        0.43523000       1.89295000       0.84026000      -1.49012787      -1.57151957      -0.73005602
O        1.74375000       4.49092000       5.10273000      -0.14171566       1.21507079       0.44842159
O        2.66454000       7.01299000       1.71874000      -1.19300617       1.44221365      -0.11228382
O       -0.77867000      -0.92454000       4.34535000       1.95285013       0.79604124       0.39732199
O        0.36247000       4.06568000       2.37400000      -0.19091233      -0.91147425       0.51364301
O        1.78175000       2.32018000       3.82449000      -1.00527312       0.26010756      -4.17111292
O        0.36914000       2.43388000       5.82466000      -0.58177926      -1.15577849       1.78382316
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.51784099 magmom=21.9984961 free_energy=-99.5234546 stress="-0.0522740840945368 -0.019833776031591935 -0.0002865963490159549 -0.019833776031591935 -0.06643641167154897 -0.002162038551199411 -0.0002865963490159549 -0.002162038551199411 -0.11220384340662576" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09904000       5.32270000       0.88901000       0.15257576      -0.17651544       1.37842476
Cr       2.02255000       0.99027000       5.13345000       0.36651271      -0.59482731      -0.16665809
Cr       1.93238000       2.66083000       1.80448000      -0.96983247       1.63021413      -3.93788442
Cr       0.19099000       3.50799000       4.31170000       1.05665674       0.60912605      -0.97338520
Cr       1.78552000      -1.80531000       5.98885000      -0.36910817      -1.41197989       0.50096499
Cr       1.06500000       7.07181000       2.97975000      -0.96036620       0.36746540       0.45709554
O        0.39223000       1.67129000       0.87612000       0.16023294       1.82457096       0.59971193
O        1.71927000       4.48077000       5.30947000       0.05028522       0.22974679      -3.05472606
O        2.54003000       6.98675000       1.68781000      -0.15537967       1.27718236      -0.14250781
O       -0.72640000      -0.82074000       4.32743000       0.71076356      -0.12516389       0.01713479
O        0.25570000       4.02407000       2.36178000       0.55806182      -0.35733144       0.43154640
O        1.80515000       2.23857000       3.48589000      -0.48140885      -1.10767700       5.12971854
O        0.34058000       2.45699000       5.94386000      -0.11899338      -2.16481072      -0.23943536
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.82464209 magmom=21.9995018 free_energy=-99.83414462 stress="-0.06931197322961212 -0.006712682828082871 0.01550848089244569 -0.006712682828082871 -0.05480602289412711 -0.032388034581411866 0.01550848089244569 -0.032388034581411866 -0.06459432382574934" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11292000       5.32353000       0.83130000       0.10436804       0.30354476       1.67175213
Cr      -0.93167000       0.93022000       5.23577000      -0.05504804      -0.21344471      -0.24986226
Cr       1.94820000       2.69266000       1.67467000      -3.43119580       1.04510179       3.08558786
Cr       0.25552000       3.53371000       4.32936000       0.48533455      -2.21774091      -1.74120388
Cr       1.90971000       6.24581000       5.97988000       0.27876355       0.75984692       0.12156479
Cr       1.01111000       7.17411000       2.96117000       0.29886153       0.56974970       0.58291900
O        0.31107000       1.71217000       0.90442000       1.47712763      -1.13166843      -0.40715888
O        1.76826000       4.51311000       5.12397000      -0.07301247      -0.05906425      -0.31341491
O        2.49517000       7.08331000       1.66034000       0.08119984      -0.21869634      -0.94096364
O       -0.63329000      -0.70028000       4.30365000      -0.47283063      -1.81662003       0.20967824
O        0.23292000       3.96596000       2.36308000       0.80288386       0.40935989       0.47446891
O        1.76155000       2.08976000       3.81096000       0.08123395       2.37006023      -1.96542921
O        1.51721000       4.06686000       0.11282000       0.42231397       0.19957140      -0.52793815
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.98556611 magmom=21.9987245 free_energy=-99.99118107 stress="-0.061579381435947114 -0.017513542792797192 0.0014940091054410673 -0.017513542792797192 -0.07590826100637607 -0.024807666011350153 0.0014940091054410673 -0.024807666011350153 -0.07272985645728379" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09946000       5.32865000       0.86450000       0.70512872      -0.09628416      -0.27858791
Cr      -0.90683000       0.85753000       5.28478000      -0.40303317       1.11637516      -1.71739257
Cr       1.81316000       2.75272000       1.71982000       0.01119170      -0.58216963       2.03906119
Cr       0.34071000       3.47191000       4.24315000      -0.37097011       0.16207925       0.79518862
Cr       1.87097000       6.22076000       5.96948000       0.55005120       0.35332670      -0.98667243
Cr       0.78070000      -0.79297000       2.97435000       0.86927195      -0.24014186      -0.43109908
O        0.36074000       1.66846000       0.86315000      -0.49037125      -0.20822744       1.92625431
O        1.83270000       4.52271000       4.95268000      -0.07748264       0.03230424       1.14255255
O        2.57191000       7.08207000       1.56479000      -1.06583015       0.12007329       0.98799965
O       -0.69704000      -0.77278000       4.29782000      -0.26304217      -1.06114564      -0.19982373
O        0.31291000       3.96393000       2.37815000      -0.20827223       0.04599907      -0.28630284
O        1.78968000       2.26539000       3.91864000       0.83589830      -1.08228975      -2.55481353
O        1.65408000       3.87511000       0.16122000      -0.09254015       1.44010077      -0.43636423
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75181408 magmom=22.0026462 free_energy=-99.75665016 stress="-0.061431879901514545 -0.0069435281388921894 -0.015142826723988609 -0.0069435281388921894 -0.06178493598325761 -0.02415264072488955 -0.015142826723988609 -0.02415264072488955 -0.07703092635216165" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09931000       5.32900000       0.88941000       0.29051341      -0.00742879      -0.81008278
Cr      -0.89561000       0.82208000       5.25196000      -0.16952419       0.35673573      -0.28473691
Cr       1.66751000       2.77579000       1.89895000       2.14555929      -0.91422512      -5.14525613
Cr       0.42427000       3.43593000       4.18681000       0.03814700       0.87673086       2.27506654
Cr       1.87694000       6.19335000       5.92465000       0.13130363       0.69595051       1.03204503
Cr       0.77502000      -0.65948000       2.96132000      -0.22938243      -0.78084280      -0.59584753
O        0.26628000       1.62838000       0.99841000      -0.35662918       0.68575501       0.36501891
O        1.89188000       4.49075000       5.05344000       0.11376399      -1.64782459      -0.34361374
O        2.60652000       7.06258000       1.62833000      -1.24306186       0.75713596      -0.28882386
O        2.13195000      -0.88791000       4.28050000       1.57083354       0.31973184       0.29824593
O        0.30481000       3.99813000       2.30728000      -1.09551337       0.71958631       1.33677562
O        1.96651000       2.25571000       3.61769000      -0.50008974      -1.83820746       2.30872993
O        1.81107000       3.86854000       0.06550000      -0.69592008       0.77690253      -0.14752101
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.19320543 magmom=22.0018538 free_energy=-99.20148541 stress="-0.046150432655221035 -0.007842051417356445 -0.004779966434771734 -0.007842051417356445 -0.034521514102722826 -0.003607883216466917 -0.004779966434771734 -0.003607883216466917 -0.07823328306801368" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10904000       5.32286000       0.87485000       0.13015028      -0.69511085       1.83865505
Cr      -0.88529000       0.80398000       5.19966000      -0.28617994       1.45874102       1.72712062
Cr       1.61347000       2.74373000       1.86899000       0.14745379       0.73334613      -0.70226782
Cr       0.50474000       3.46448000       4.25589000      -0.66208771      -2.23057687       0.03589008
Cr       1.91460000       6.17060000       5.91899000      -0.19713266       0.35336316       1.23290177
Cr       0.76187000      -0.57321000       2.91508000      -0.09201769      -0.62401603       0.49807114
O        0.05353000       1.74014000       1.10376000       1.07581909      -1.02472115      -1.79541326
O        1.97943000       4.26623000       5.21943000       0.41661009       2.62251263      -1.89894370
O        2.52131000       7.12630000       1.67755000      -0.60774648       0.09368738      -1.58030957
O        2.12898000      -0.83511000       4.32028000       1.11146158      -1.30403134      -0.56325153
O        0.11020000       4.12215000       2.37464000       0.47076867      -1.34087585       1.28274043
O        2.12476000       1.89942000       3.62203000      -0.49262552       2.06342426      -0.67110308
O        0.68302000       2.12010000       5.91449000      -1.01447350      -0.10574250       0.59590988
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.33133624 magmom=21.9974753 free_energy=-99.34153644 stress="-0.022763029266891673 -0.009390675993316805 0.010229799572169615 -0.009390675993316805 -0.031074009584000042 0.025684816958227833 0.010229799572169615 0.025684816958227833 -0.07932926867734258" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11575000       5.28084000       0.94176000       0.33457805       0.46323153       0.95458636
Cr      -0.88497000       0.83879000       5.21863000      -0.67596088       0.48508562      -0.09029984
Cr       1.56432000       2.73138000       1.74664000      -0.16795614       0.19477205       1.74155651
Cr       0.54908000       3.40447000       4.34185000       0.00358662      -0.91587833      -1.51949968
Cr       1.95914000       6.16897000       5.96986000       0.30424836       1.39874213      -0.89571740
Cr       0.73741000      -0.54172000       2.88327000       0.09168855      -0.78744063       0.60942087
O        0.01368000       1.75688000       0.86116000       0.49821027      -0.76190861       0.53835265
O        2.11416000       4.39155000       5.19104000      -0.78590714      -0.43890149      -0.15614129
O        2.42572000       7.17987000       1.54024000      -0.18492936      -0.69293245       0.78221908
O       -0.72940000      -0.82417000       4.30365000       0.12511523      -0.45896340      -0.43887132
O       -0.00890000       4.04960000       2.57855000       0.87611741      -0.01932686      -1.81494296
O        2.22204000       1.82770000       3.66204000      -0.66301537       2.29777989      -1.43979510
O        0.50223000       2.21933000       5.87272000       0.24422441      -0.76425946       1.72913212
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.22919173 magmom=22.0003403 free_energy=-99.23383652 stress="-0.03185707044864651 -0.01750491360059671 0.022079320888065728 -0.01750491360059671 -0.0719021454404186 0.009325736498725971 0.022079320888065728 0.009325736498725971 -0.05666511435216669" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12498000       5.24358000       1.08686000       0.25858438       3.15053171      -1.32865035
Cr      -0.91009000       0.90818000       5.19741000       0.03204182       0.13719727      -2.79521119
Cr       1.50466000       2.72324000       1.70903000       1.80888023      -0.27192619       0.35968885
Cr       0.58038000       3.29589000       4.35340000      -0.40539983       2.12911595      -0.51622348
Cr       2.02862000       6.22499000       5.97670000       0.12190937      -1.41930298      -1.69578957
Cr       0.71539000      -0.57692000       2.88984000       1.27052960      -0.90775967      -0.55604777
O        0.10963000       1.69056000       0.69882000      -0.58603015       1.56216438       3.17571039
O        2.11879000       4.49357000       5.11950000      -0.46052904      -2.44449057      -0.17958916
O        2.38820000       7.14714000       1.52234000      -0.03914709      -0.04006297       0.54062527
O       -0.64285000      -0.81912000       4.18732000      -1.55240279       0.24377589       1.18850026
O        0.07955000       3.91237000       2.41454000       0.73884408      -0.28119904       0.69461586
O        2.14423000       2.15011000       3.51479000      -1.56617493      -1.42772145       1.84234198
O        1.47867000       4.09409000       0.16840000       0.37889436      -0.43032235      -0.72997110
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.03364796 magmom=21.998828 free_energy=-99.03367161 stress="-0.10445617742595387 0.030996116604924066 0.022728058640512153 0.030996116604924066 -0.10440894696520592 -0.024723514028198206 0.022728058640512153 -0.024723514028198206 -0.06520266610046892" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12877000       5.32361000       1.15411000       0.26496311       0.44185270      -1.79612364
Cr       2.05612000       0.96700000       5.03965000       0.17570956       0.07574907       3.65131569
Cr       1.56086000       2.68071000       1.71794000       2.21699727       0.61597062       0.16025724
Cr       0.57114000       3.30777000       4.32253000      -3.67152359       2.41081442       0.58697698
Cr      -0.88739000       6.22734000       5.90127000      -0.53976652      -0.63678743       0.22367458
Cr       0.73895000      -0.67201000       2.90059000      -0.33359977      -0.31390819      -0.10311548
O        0.09288000       1.77741000       0.90381000      -0.07747414      -1.74739766      -1.60413331
O        2.02184000       4.26924000       5.12570000       0.26076574       1.85378451       0.94752399
O        2.43559000       7.11466000       1.61190000      -0.22286706       0.85935271      -0.84746872
O        2.18822000      -0.69854000       4.20831000       0.55995293      -1.73816061       0.15640570
O        0.23295000       3.82839000       2.31618000      -1.47013386       0.58241235       3.66548880
O        1.85703000       2.22498000       3.67919000       2.07872627      -1.89164077      -2.20032388
O        1.43226000       4.10231000       0.35633000       0.75825006      -0.51204173      -2.84047796
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.78394086 magmom=21.9964439 free_energy=-99.78439834 stress="-0.04384787793553104 0.0013678825677194651 -0.011153038515240328 0.0013678825677194651 -0.06903204783051595 0.011810703217321595 -0.011153038515240328 0.011810703217321595 -0.07686598079212217" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12504000       5.38341000       1.10323000       0.63323097      -1.59196013      -0.23501718
Cr       2.03882000       0.96830000       5.04086000       0.18350462      -0.81682237       3.31249234
Cr       1.70149000       2.65956000       1.73850000      -0.86623865       1.36783016      -0.03262358
Cr       0.42938000       3.41991000       4.33065000      -0.00962099      -1.77172380       2.41599140
Cr      -0.86788000       6.19880000       5.84126000      -0.73590076      -0.06530089       1.63869084
Cr       0.75015000      -0.77035000       2.92059000      -0.38790199       0.24574346       0.09335513
O        0.10756000       1.68424000       0.83220000       1.09407925       0.81552440       0.01801629
O        1.95834000       4.32148000       5.29868000      -0.18291182       0.50237646      -1.62975007
O        2.51727000       7.16681000       1.61146000      -1.06059610       0.65909599      -0.44946377
O        2.10762000      -0.76126000       4.26734000       1.54229530      -1.08029276      -0.74030444
O        0.16291000       3.91395000       2.62448000       0.27217975       1.24461434      -3.54609623
O        1.84645000       2.07315000       3.59092000      -0.23701928       1.43626109      -0.67287829
O        1.53281000       4.13823000       0.17458000      -0.24510030      -0.94534593      -0.17241244
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.0044788 magmom=22.00156 free_energy=-100.009839 stress="-0.03855852661184956 -0.015271504834331436 0.002220978532456189 -0.015271504834331436 -0.04815290443539095 0.020507222963716838 0.002220978532456189 0.020507222963716838 -0.07210902210788271" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11950000       5.34544000       1.02293000       0.12867992       1.15225497      -0.85037959
Cr       2.01912000       0.90309000       5.16583000      -0.14511235       0.35441393      -2.07028506
Cr       1.78248000       2.69641000       1.74602000      -0.28638219       1.43167292      -0.68885474
Cr       0.29932000       3.46264000       4.40333000       1.20611786      -1.05834448      -2.20736927
Cr      -0.90597000       6.19253000       5.86176000      -0.23259161       1.22321923       1.75252280
Cr       0.74569000      -0.83718000       2.95236000       1.00126695       0.22419314      -0.55567291
O        0.28455000       1.73922000       0.72494000      -0.06557181      -0.03462961       2.32847671
O        1.90135000       4.43288000       5.27519000      -0.87496317      -1.34046952      -1.38238012
O        2.52779000       7.21623000       1.60087000      -0.76785205      -0.13085422      -0.38115415
O       -0.73699000      -0.89557000       4.22233000       0.05822498       0.27607351       0.56203093
O        0.15699000       4.14874000       2.43842000       0.48982881      -2.42071806       1.57405058
O        1.85668000       2.10776000       3.53788000      -0.18306494       0.62723032       1.69686499
O        1.63320000       4.10152000       0.02435000      -0.32858040      -0.30404214       0.22214983
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.51543235 magmom=21.9953199 free_energy=-100.51892868 stress="-0.06415029477753818 -0.03258478999895291 0.004238679289059316 -0.03258478999895291 -0.04986053593773673 -0.015928485966333235 0.004238679289059316 -0.015928485966333235 -0.05201203819113923" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09141000       5.34121000       0.90516000       0.06209395       0.30614368      -0.30435938
Cr       1.99784000       0.84599000       5.18819000      -0.22578632       0.69036002      -1.02311747
Cr       1.84380000       2.78857000       1.73821000      -0.41841638       0.82428557       1.26400136
Cr       0.24708000       3.44770000       4.35382000       1.24310703      -0.72000014      -1.31420097
Cr       2.02544000       6.23474000       5.95921000       0.02921809      -0.04730497       0.28548991
Cr       0.79147000      -0.88598000       2.95675000       1.01955339       0.05264289      -0.28135224
O        0.39092000       1.82131000       0.90326000      -0.89715112      -1.58421579       0.19713703
O        1.74857000       4.41513000       5.11349000       0.38878386       1.38140080       0.61774017
O        2.52828000       7.14803000       1.59777000      -0.39273249       0.17961716       0.05977723
O       -0.64885000      -0.89083000       4.26801000      -0.41271677      -0.13102027       0.62304808
O        0.24689000       4.05412000       2.35053000       0.59169497      -0.64854003       1.33013169
O        1.83354000       2.23887000       3.80289000      -0.54308335      -0.25537273      -2.39564994
O        0.54707000       2.17326000       5.97563000      -0.44456486      -0.04799621       0.94135455
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.88849465 magmom=21.9998112 free_energy=-99.88866515 stress="-0.06960055195058305 -0.013570558618651892 0.002331364108992496 -0.013570558618651892 -0.08578331040142963 -0.042547381384183534 0.002331364108992496 -0.042547381384183534 -0.06251472200361295" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03935000       5.36051000       0.75151000       0.64021400      -0.78170468       0.91314136
Cr       1.98252000       0.84172000       5.15099000      -0.67304778       1.23614855       1.21749877
Cr       1.88335000       2.88686000       1.79722000      -0.87019902      -2.86793491      -0.91858921
Cr       0.26202000       3.41921000       4.22239000       0.23471036       1.24239137       2.74535551
Cr       2.91707000       0.03950000       0.05830000      -0.05756473      -0.14395875      -0.39423668
Cr       1.08455000       7.16453000       2.94986000      -0.49835263      -0.05520292       1.17618656
O        0.30218000       1.68638000       1.07308000       0.40452471       1.01492895      -0.27729850
O        1.68546000       4.56863000       5.11353000       0.49005094      -1.03467141      -1.07833295
O        2.58674000       7.00518000       1.65335000      -0.16874323       0.87486376       0.21529993
O       -0.70165000      -0.82136000       4.38547000       1.07639220      -1.58765590      -1.29901402
O        0.41019000       3.89251000       2.41780000      -1.04582820       3.07358226      -0.70436052
O        1.75708000       2.27771000       3.77865000       0.53947393      -1.08155383      -1.60283078
O        1.67319000       3.95337000       0.05140000      -0.07163054       0.11076751       0.00718052
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.51124983 magmom=22.001454 free_energy=-99.52086987 stress="-0.05083101150192493 -0.0017290127530489054 -0.007520689775128193 -0.0017290127530489054 -0.0317697236242183 -0.010689805548060087 -0.007520689775128193 -0.010689805548060087 -0.07773451257690454" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.98128000       5.34579000       0.61940000       0.57020186      -0.97600151       2.87832681
Cr       1.96500000       0.90254000       5.16687000      -0.37096158      -0.73075994       0.11344819
Cr       1.87367000       2.84485000       1.84004000      -1.64281512       0.93667896      -1.37341756
Cr       0.29219000       3.46710000       4.19268000       0.24798044       0.32534635       0.16969281
Cr       2.84915000       0.06749000       0.16283000       0.16187929      -1.12795202      -1.40040104
Cr       1.17467000       7.09878000       3.00257000      -1.02412832      -0.36317960       0.54330597
O        0.19322000       1.70453000       1.07241000       1.33063888       1.14236055      -0.36267062
O        1.79494000       4.56241000       5.07960000      -0.14968448      -0.17553059      -1.22810937
O        2.70602000       6.91735000       1.74861000      -0.62973597       0.93341685      -1.37798946
O       -0.68890000      -0.85190000       4.35610000       1.54017670      -0.04582431       1.34593821
O        0.39799000       4.21291000       2.35103000      -0.68582609      -1.06082709      -0.01025580
O        1.76149000       2.07974000       3.54492000       0.16540128       0.78082954       2.07366416
O        1.62022000       3.89123000       0.14468000       0.48687311       0.36144280      -1.37153230
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-98.92010633 magmom=22.0028188 free_energy=-98.92948079 stress="-0.06299315107319785 0.0010661691650119477 0.005756751365773019 0.0010661691650119477 -0.03151469341425557 0.006693604444586838 0.005756751365773019 0.006693604444586838 -0.08315440499529726" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.95919000       5.29194000       0.60936000       0.58405358       0.50295972       1.19333485
Cr       1.95596000       0.94900000       5.20301000      -0.18546239      -1.13829019      -1.12624998
Cr       1.77015000       2.80408000       1.81807000      -0.66222216       1.87368259      -0.18909765
Cr       0.34195000       3.55303000       4.16504000       1.00895027      -2.02237383      -1.32537909
Cr       2.80011000       0.04755000       0.21979000       1.04807405       0.75346969      -2.48799077
Cr       1.23680000       6.99158000       3.10400000      -0.17145997      -0.12169545      -0.37170146
O        0.22290000       1.92380000       0.90264000       0.00876767      -1.77767349       1.11225587
O        1.90283000       4.43198000       4.93790000      -1.41776911       2.34976941       1.37923976
O        2.78807000       6.94891000       1.65813000      -0.80785208       0.17685355       1.37999204
O       -0.51845000      -0.83711000       4.46974000       0.42111537      -0.40690346       0.25021069
O        0.19069000       4.42174000       2.29318000       0.22838950      -2.84892399       1.08682875
O        1.82528000       2.01914000       3.63678000      -0.06159236       2.06121912      -1.06561428
O        0.45990000       2.03760000       5.98283000       0.00700763       0.59790632       0.16417126
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.75647344 magmom=21.985251 free_energy=-99.76256272 stress="-0.053782478929803645 -0.02915790178405779 -0.0004255518281496072 -0.02915790178405779 -0.0537014801570621 -0.017438184109845177 -0.0004255518281496072 -0.017438184109845177 -0.06768560940918707" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.97374000       5.27488000       0.70602000       0.28416600       1.02343847       0.22755213
Cr       1.96106000       0.93245000       5.16437000      -0.88511362       0.23284073      -1.77993333
Cr       1.60546000       2.83932000       1.75729000       0.56000633       0.05138477      -0.53420275
Cr       0.42988000       3.57955000       4.08203000      -1.32115709      -0.58384370       3.20276442
Cr       2.82790000       0.04870000       0.18085000       0.79737042      -0.08329658      -1.28810439
Cr       1.29929000       6.86746000       3.20142000       0.23710162       0.63434830      -0.79688880
O        0.19365000       1.89631000       0.86430000      -1.34584628      -0.90080561       1.24737027
O        1.83081000       4.55131000       5.00811000       0.54708487       0.71361170       0.47098046
O        2.78952000       6.96531000       1.72698000      -0.18545867      -0.13235445       1.45606204
O       -0.34070000      -0.83261000       4.57545000      -0.16943362      -0.77636523      -0.60822373
O       -0.04080000       4.12520000       2.34638000       1.21825918       0.77783069      -1.47980401
O        1.89265000       2.35296000       3.66294000      -0.22405174      -1.27121943      -0.98973092
O        0.43835000       2.19569000       5.78570000       0.48707260       0.31443035       0.87215860
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.57413178 magmom=21.9991117 free_energy=-99.57888543 stress="-0.05958165417014679 -0.01388385246121799 0.016877010717144526 -0.01388385246121799 -0.07893826509392542 -0.03645859214375075 0.016877010717144526 -0.03645859214375075 -0.05888799039077828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01110000       5.32986000       0.80556000       0.12935359       0.83338340      -0.82757264
Cr       1.95770000       0.93248000       5.06100000      -0.94983590       0.02266348      -0.06115774
Cr       1.48510000       2.84557000       1.67944000       0.56304620      -1.09221218      -0.57509546
Cr       0.44509000       3.59164000       4.13904000      -1.64623123       0.93113204       1.65183556
Cr       2.90724000       0.05017000       0.10218000       0.24801655       0.17590558       1.32047223
Cr       1.35942000       6.80419000       3.24021000      -0.51174029       0.53536019      -0.26300418
O       -0.03944000       1.76011000       0.97275000       0.47816076       1.10263568      -0.47305349
O        1.81491000       4.67993000       5.19157000       0.34778602      -2.29489095      -1.92159512
O       -0.18805000       6.87211000       1.95403000       0.53096838       0.85861950      -1.09728629
O       -0.31473000      -0.90548000       4.54064000      -0.14127024       0.41615023       0.56306229
O        0.00018000       3.99727000       2.16216000       0.76133076       1.09556197       1.38434839
O        1.88781000       2.46022000       3.56774000      -0.24659738      -1.72768954       0.13018711
O        0.42669000       2.35249000       5.79081000       0.43701278      -0.85661939       0.16885933
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.50896859 magmom=21.9993782 free_energy=-99.51758952 stress="-0.06287334328951906 0.011818677244550642 0.008838922716853067 0.011818677244550642 -0.07099141489981728 -0.025197044062372078 0.008838922716853067 -0.025197044062372078 -0.06805324799057261" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03218000       5.41011000       0.83663000       0.30274624      -1.73241275      -1.07709111
Cr       1.93432000       0.96166000       4.98415000      -0.84220393      -0.04153922       0.86563463
Cr       1.42211000       2.77684000       1.61020000       1.03612270       1.04205876       1.24334515
Cr       0.37358000       3.63280000       4.25477000      -0.15420482      -2.14488812      -1.64066027
Cr      -0.00205000       0.04323000       0.09790000      -0.09973545      -1.04651736       0.94701787
Cr       1.38431000       6.79590000       3.24241000      -0.70190442       0.38620417      -0.31444295
O        2.86611000       1.78488000       0.89156000       0.99733297       0.14808245      -0.81374402
O        1.89109000       4.51077000       5.16009000      -0.29440817       1.71699656      -0.56211296
O       -0.09744000       6.86063000       1.96119000      -0.43401750       2.29183874      -0.56097968
O       -0.40178000      -0.91842000       4.54619000       1.11239782       0.19023868       0.04319569
O        0.17321000       4.12315000       2.16739000      -0.90950810      -0.96497073       2.60052939
O        1.81568000       2.28484000       3.56558000      -0.12711337       0.97479315      -0.61090624
O        0.43363000       2.35422000       5.89215000       0.11449603      -0.81988434      -0.11978549
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.7207362 magmom=22.0009897 free_energy=-99.72425077 stress="-0.04582783319066142 0.0013421706833584076 -0.003071908762182832 0.0013421706833584076 -0.052209605048557206 0.002076307347649945 -0.003071908762182832 0.002076307347649945 -0.06393303621472991" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06902000       5.41216000       0.83039000       0.04406141      -1.31900985       1.28517517
Cr       1.88144000       1.00312000       4.94923000      -0.47854135      -1.07173188       0.71501321
Cr       1.42923000       2.73052000       1.62344000       1.18579080       1.79889026       0.78893854
Cr       0.29167000       3.56333000       4.27259000       0.85921565      -1.89825346       0.03851503
Cr       0.09063000      -0.00297000       0.15274000       0.29194190       0.94982256      -0.96633420
Cr       1.37475000       6.82787000       3.21431000      -0.83231387       0.61510096      -1.07989617
O       -0.00991000       1.88017000       0.62348000      -0.64952575      -0.00850111       2.35349984
O        1.89460000       4.55262000       5.11081000      -1.12359625       0.13145116       0.13332391
O       -0.04892000       7.08796000       1.80976000      -0.76332487      -0.10094812       0.60312950
O       -0.45680000      -0.86529000       4.50048000       1.54320327      -0.61340307      -0.09106295
O        0.18814000       4.14033000       2.53183000      -0.13783694       0.51107947      -2.82044145
O        1.72005000       2.24639000       3.54073000       0.05599410       0.89559525      -0.59355063
O        0.42924000       2.23903000       6.01297000       0.00493191       0.10990783      -0.36630980
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.73777272 magmom=22.0031766 free_energy=-99.7414775 stress="-0.04655842852878059 -0.008642719473141372 -0.0016632822345574948 -0.008642719473141372 -0.026360316716462724 0.019747803181775152 -0.0016632822345574948 0.019747803181775152 -0.06669187046721885" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10878000       5.34232000       0.89369000      -0.34083722       1.47148510      -0.30082920
Cr       1.80189000       1.00595000       4.95691000      -0.16154175      -1.95136731       0.56334552
Cr       1.51108000       2.76615000       1.69533000       0.56223240       2.28004501      -1.34442634
Cr       0.23466000       3.39087000       4.25962000      -0.57950307       2.93690787       0.86959508
Cr       0.21587000       0.00974000       0.16606000       0.33256202       1.34816572      -2.40021950
Cr       1.32190000       6.92628000       3.11104000       0.23401172       0.42590256      -0.68829015
O        0.05574000       1.95243000       0.66408000      -0.28639563      -1.14721069       1.94835454
O        1.71761000       4.59996000       5.18244000       0.33271610      -2.08158341      -0.76249694
O       -0.08720000       7.19759000       1.73921000      -0.99921033      -1.26669657       0.99124982
O       -0.39191000      -0.86659000       4.34119000       0.16332006       0.17797590       1.58976285
O        0.17271000       4.23378000       2.46562000      -0.02087598      -1.92897599       0.29444345
O        1.65896000       2.30107000       3.52922000       0.61921015      -0.79369893       0.32791623
O        1.55088000       4.02497000       0.05628000       0.14431154       0.52905073      -1.08840536
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.13689018 magmom=22.0066183 free_energy=-100.1370884 stress="-0.06251243869105395 -0.005102340761855661 0.007974811505875146 -0.005102340761855661 -0.06625142111797816 -0.004737822466919873 0.007974811505875146 -0.004737822466919873 -0.0578248963798636" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11587000       5.34301000       0.94146000      -0.07481152       0.09597133      -1.62663762
Cr       1.71774000       0.92015000       5.01281000       0.05204558      -1.78684365       1.48113857
Cr       1.63284000       2.90632000       1.72738000      -0.54778117      -0.90124818      -0.43947231
Cr       0.15028000       3.34333000       4.29878000       0.74760509       1.47091104       0.14950591
Cr       0.34302000       0.09042000       0.06011000      -0.92842676      -1.58748189      -0.00335570
Cr       1.27268000       7.07685000       2.97174000       0.59315521       0.14438517       1.89930847
O        0.08799000       1.81890000       0.99198000       0.52328849       0.13978722      -0.84219884
O        1.64959000       4.33971000       5.22763000       0.80882162       1.49365545      -1.07704671
O        2.78269000       7.02020000       1.76403000      -0.12573140       1.61519719      -1.65317935
O       -0.36416000      -0.86263000       4.34148000      -0.45141417       0.63308076       0.70068823
O        0.15458000       4.06243000       2.29978000      -0.06885208      -0.74173179       2.79298304
O        1.69508000       2.22641000       3.61703000      -0.46974437       0.25666820      -1.44304926
O        0.38882000       2.20159000       5.98697000      -0.05815452      -0.83235085       0.06131556
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.06177409 magmom=21.9999016 free_energy=-100.06177417 stress="-0.05434269193525359 0.007216201160285962 0.01824077829534635 0.007216201160285962 -0.06723168403631721 -0.024755920879806166 0.01824077829534635 -0.024755920879806166 -0.05246084354172596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09384000       5.35425000       0.91048000       0.32462233      -2.10143644      -0.12304581
Cr       1.67375000       0.80089000       5.11418000      -0.41402360       1.19631151       0.32808179
Cr       1.69021000       2.93757000       1.73018000      -0.96962577      -2.70779417       0.53321663
Cr       0.12515000       3.38122000       4.32494000       2.09220706      -2.02460909      -0.60208708
Cr      -0.77339000      -1.76541000       5.99916000      -1.04579440      -2.21221254       1.10497080
Cr       1.25979000       7.19074000       2.94090000      -0.34296399       0.16827177       0.77747832
O        0.19885000       1.73783000       1.04639000      -0.13144024       0.91166430      -0.62540865
O        1.75996000       4.32925000       5.18136000      -0.80932484       2.24630485      -0.22872143
O        2.74369000       7.03966000       1.62543000       0.01094974       1.97248774       0.44387049
O       -0.46382000      -0.75413000       4.38939000       1.12893366      -0.67221024      -1.68412501
O        0.16087000       3.93153000       2.48545000       0.38797524       2.60803539      -0.94991516
O        1.68317000       2.14882000       3.60770000      -0.10603620       0.42381960      -0.15548879
O        0.36385000       2.11409000       5.94067000      -0.12547898       0.19136732       1.18117390
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.24903446 magmom=22.0015069 free_energy=-100.25112823 stress="-0.04052225461109413 -0.005075402352294766 -0.003428138982116397 -0.005075402352294766 -0.015283313850737223 -0.004056050066911575 -0.003428138982116397 -0.004056050066911575 -0.057736590466418575" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06406000       5.31766000       0.88024000      -0.06869642       1.27442442      -0.06527350
Cr       1.65701000       0.76676000       5.21484000      -0.12492137       1.03892938      -1.87785975
Cr       1.68800000       2.80709000       1.77736000       0.16136539       0.98596201       0.71674994
Cr       0.19917000       3.35562000       4.30665000       0.54194931       0.83582460       0.00565342
Cr      -0.63688000       6.25650000       5.96694000      -0.14475932       0.21917951       0.07583779
Cr       1.04307000      -0.81690000       2.94408000       0.24395739      -0.05157237      -0.65842962
O        0.27556000       1.81457000       0.88738000      -0.83490851      -0.91933540       1.35068268
O        1.83428000       4.56203000       5.14947000      -0.45526314      -2.04303744      -0.66428408
O        2.81527000       7.23689000       1.60285000      -0.77833749      -0.71368704      -0.23003205
O       -0.48805000      -0.70343000       4.22879000       0.84871168      -0.71303152       1.37831499
O        0.22359000       4.20779000       2.47888000      -0.07691972      -2.00016859       0.14427597
O        1.66496000       2.13042000       3.65885000       0.29478832       0.43294280      -0.14672303
O        1.44656000       3.85018000       0.01968000       0.39303389       1.65356963      -0.02891275
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-100.15659295 magmom=22.0019276 free_energy=-100.16235574 stress="-0.04480488230077661 0.003573862703814084 0.0035978792569833513 0.003573862703814084 -0.02427874542357072 -0.001740082250487424 0.0035978792569833513 -0.001740082250487424 -0.07101476576483072" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03071000       5.36687000       0.85803000       0.13734974      -0.23875734       0.21203159
Cr       1.68851000       0.83736000       5.23972000       0.14227155       0.07061948      -1.00733932
Cr       1.68288000       2.69352000       1.88043000      -0.24751890       1.69487699      -1.98508040
Cr       0.31277000       3.38482000       4.27928000      -0.35558314       0.98177931       0.49660047
Cr      -0.75113000       6.17480000       5.93632000       0.17286929       1.66112284      -0.66725762
Cr       1.03338000      -0.72399000       2.90752000       1.22113196      -0.37382075       0.53962669
O        0.15884000       1.73814000       0.85954000       0.04066431      -0.57336719       1.62216996
O        1.88291000       4.45143000       5.09523000      -0.66370335      -0.51315947      -0.34107127
O        2.84711000       7.24146000       1.59544000      -1.62704886      -0.72778610      -0.19250640
O       -0.45555000      -0.75773000       4.24789000      -0.05873062       0.16328987       0.96774002
O        0.25665000       4.18017000       2.36088000      -0.26351392      -2.28909961       1.75931379
O        1.72327000       2.17208000       3.76081000       0.70142340      -0.43464345      -0.82592794
O        1.41515000       3.92126000       0.06971000       0.80038852       0.57894543      -0.57829955
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.2227628 magmom=22.0021416 free_energy=-99.22361582 stress="-0.07635070078536 0.0042205777641565745 0.01915938145737796 0.0042205777641565745 -0.08477622563371262 -0.03304869924612996 0.01915938145737796 -0.03304869924612996 -0.07771303471388165" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00751000       5.41216000       0.85685000       0.91571270      -4.44036561       0.82067387
Cr       1.78835000       0.95224000       5.23353000      -0.36353429      -1.59861120       1.31403572
Cr       1.66127000       2.63149000       1.90488000      -0.46135012      -0.67079216      -1.98947883
Cr       0.42665000       3.47322000       4.25810000      -1.28711208      -3.10955458       0.58776461
Cr      -0.91545000       6.15983000       5.87616000      -0.34491594       0.50568005       0.49500189
Cr       1.07185000      -0.64616000       2.88030000      -0.78840480      -0.58669891       1.15134431
O       -0.01937000       1.53876000       1.03305000       1.37439732       0.80371437      -0.53154246
O        1.88214000       4.26028000       5.08154000       0.79491527       3.87924352       0.17180869
O        2.71184000       7.06064000       1.58898000      -0.07468316       2.32785744       0.81937615
O       -0.50292000      -0.74611000       4.40966000       0.60197327       0.26707960      -1.44398044
O        0.20608000       3.76513000       2.40483000      -0.43385831       2.75380356      -0.68079250
O        1.91154000       2.16301000       3.77117000      -0.49251022       0.15719811      -1.20774091
O        0.35203000       2.23396000       6.01971000       0.55937037      -0.28855419       0.49352988
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.64309001 magmom=21.9938515 free_energy=-99.64994652 stress="-0.05571572949643181 -0.0020119754202819534 0.009205538221270243 -0.0020119754202819534 -0.07922754775102009 -0.04744302678817369 0.009205538221270243 -0.04744302678817369 -0.056237185563855166" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01795000       5.28262000       0.90024000       0.93543702       0.57549027       1.00191612
Cr       1.91172000       0.99281000       5.29511000      -0.42633130      -1.11663539       0.35588374
Cr       1.60887000       2.53695000       1.81772000      -0.29954889       0.46481828      -0.15306846
Cr       0.47350000       3.44828000       4.25701000      -0.44607756      -0.06929255       0.24895479
Cr       1.90380000       6.20056000       5.85148000       0.19372819       3.06602330       1.73995584
Cr       1.06966000      -0.63326000       2.91251000      -2.07076529      -0.35244666       0.55481358
O        0.05332000       1.53871000       1.01622000       0.66766289       0.71690687      -0.75253881
O        1.97053000       4.56082000       5.14405000      -0.02872755      -4.05611641      -1.95859341
O        2.66128000       7.07919000       1.66886000       0.85926134       0.00160646      -0.93753554
O       -0.58927000      -0.61160000       4.34044000       1.24727071      -0.89565461       0.08847763
O        0.11072000       3.78183000       2.32867000       0.50958141       1.47403159      -0.06329706
O        1.99260000       2.11868000       3.71573000      -0.81426273       0.63364355       0.21787229
O        0.48477000       2.31114000       6.01621000      -0.32722825      -0.44237470      -0.34284073
13
Lattice="2.989200115 0.0 0.0 0.193140601 8.100197673 0.0 -1.147098411 -1.860681113 6.022171915" Properties=species:S:1:pos:R:3:force:R:3 energy=-99.08699316 magmom=21.9995377 free_energy=-99.09540521 stress="-0.07126443251492989 -0.010623017343432205 -0.020870500702540273 -0.010623017343432205 -0.06584486059178926 -0.012859213436601409 -0.020870500702540273 -0.012859213436601409 -0.09724112642600358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07247000       5.19706000       0.96360000       0.67486425       3.44668250      -2.16719619
Cr      -0.95228000       0.97873000       5.35118000      -0.65016740       1.68202169      -2.47139496
Cr       1.56644000       2.46825000       1.74096000       1.85629152       2.28150550       2.14932911
Cr       0.47944000       3.42525000       4.26305000      -0.44623818       0.13259472      -0.64492477
Cr       1.59551000      -1.78516000       5.89533000       0.74974110      -2.43719082      -0.87938755
Cr       0.98062000      -0.66647000       2.96042000      -0.27263998      -0.39580119      -0.84669185
O        0.17460000       1.67833000       0.80909000      -1.60775686      -1.22097241       0.89302702
O        2.01369000       4.44515000       5.03416000      -0.87200906       0.82361040       0.86757940
O        2.75793000       7.08580000       1.63842000      -1.09526137       0.08502617      -0.49291093
O       -0.61018000      -0.55860000       4.26050000       1.06870573      -1.27701777       1.01254129
O        0.11716000       3.99639000       2.26841000       0.50001210      -2.82095827       2.86501510
O        1.90871000       2.15957000       3.75464000       0.38683960      -0.13970698      -0.13043571
O        0.52019000       2.32991000       6.00845000      -0.29238145      -0.15979355      -0.15454996
