13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-66.66432111 magmom=2.7437262 free_energy=-66.68037544 stress="-0.00818868356938641 -0.000247239470890674 -1.643511686423929e-05 -0.000247239470890674 -0.007907576914756088 0.0001302981314855047 -1.643511686423929e-05 0.0001302981314855047 0.009758632985290408" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00482000      -0.03908000      -5.25862000       0.00009212       0.00032772       0.04165278
O        0.00159000      -0.01289000      -1.73435000       0.00029452       0.00278624       0.32863361
O       -0.00030000       1.82427000      -4.37175000      -0.00067979       0.00482713       0.65165995
O       -1.60448000       0.87903000      -6.13930000       0.00071781      -0.00560384      -0.76023808
O        0.00800000      -0.06480000      -8.71869000      -0.00028418      -0.00240455      -0.29505363
O       -1.59987000       0.84166000     -11.16714000       0.00041699       0.00001930      -0.01992393
O        0.01231000      -0.09976000     -13.42328000      -0.00041957       0.00021534       0.06325383
O       -1.59556000       0.80672000     -15.86957000       0.00042403       0.00116274       0.12292098
Zn      -0.00215000       1.83919000      -2.36404000      -0.00006158      -0.00340616      -0.42161941
Zn      -1.60260000       0.86374000      -8.19647000       0.00014737       0.00374943       0.46977998
Zn       0.00997000      -0.08074000     -10.86345000      -0.00056095      -0.00005408       0.02600922
Zn      -1.59749000       0.82236000     -13.76415000       0.00041152       0.00016579      -0.01317125
Zn       0.01508000      -0.12214000     -16.43518000      -0.00049828      -0.00178507      -0.19390406
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.85713785 magmom=2.658814 free_energy=-65.87181626 stress="-0.03979026823407759 -0.009062717288153804 0.005654569117028024 -0.009062717288153804 -0.02530535176562227 0.016376572900495042 0.005654569117028024 0.016376572900495042 -0.008654272550223946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.14881000      -0.04137000      -5.22088000      -3.02563620      -1.27764214       0.70032182
O       -3.10959000       0.13736000      -1.72440000      -0.25859844      -0.62994962       0.00205553
O       -0.08647000       1.81418000      -4.33152000       0.68115271      -0.46812023       0.20627310
O       -1.75274000       0.70521000      -6.06308000       2.46270352       1.86356840      -1.75898901
O        1.57175000       2.67607000      -8.54900000      -0.75567438      -0.14148237      -0.57085771
O       -1.56950000       0.83196000     -11.00746000       0.71217511       0.44094645      -0.09639544
O       -0.10686000      -0.06234000     -13.52612000       0.83908049      -0.63354483       0.44591901
O       -1.56697000       0.79741000     -15.95235000      -0.14908649      -0.47969659       0.54224314
Zn       0.07939000       1.94276000      -2.42509000       0.14437669       0.45148503       0.84079756
Zn      -1.69310000       0.81259000      -8.22284000       0.77982811       0.12541675       0.62055529
Zn      -3.13042000      -0.07561000     -10.86528000      -0.88791118      -0.45823686       0.00079243
Zn      -1.67707000       0.82036000     -13.81147000      -0.63091216       0.57391125      -0.16903166
Zn      -1.58012000       2.60558000     -16.42749000       0.08850222       0.63334478      -0.76368407
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.73062253 magmom=2.4979716 free_energy=-65.74522 stress="-0.029486716749374753 0.010411677285411054 -0.00679726105013453 0.010411677285411054 -0.053496662588424664 -0.005323128542308586 -0.00679726105013453 -0.005323128542308586 -0.00824945325528495" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.60258000       2.69793000      -5.18172000      -0.51657798      -0.80723804      -2.08974915
O       -3.04149000       0.19008000      -1.77701000      -0.00534743       0.05113675       0.25168990
O       -0.09155000       1.70202000      -4.37161000       0.86653611       0.83487416       1.53067233
O       -1.58568000       0.79005000      -6.09927000      -0.38930103       0.16415557       0.30628484
O        1.38274000       2.59697000      -8.41565000       1.11205757       0.19984834      -0.69374843
O       -1.39490000       0.90025000     -10.80720000      -1.23195769      -0.70085053      -0.14055234
O        1.51338000       2.64067000     -13.55094000      -0.88020598       0.81618234       0.75164974
O       -1.56122000       0.69196000     -15.95940000       0.15050579       0.46837240       0.36322118
Zn       0.19265000       2.10008000      -2.42866000      -0.22737231      -0.44447253       0.24908704
Zn      -1.77015000       0.75223000      -8.24043000      -0.71552924      -0.11305493       0.82276826
Zn      -3.08016000      -0.08132000     -10.86982000       0.84153882       0.58264204      -0.27298079
Zn      -1.80666000       0.84681000     -13.87935000       1.17606990      -0.86116551      -0.12667794
Zn      -1.55182000       2.57039000     -16.42736000      -0.18041653      -0.19043005      -0.95166464
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.32798594 magmom=2.4767521 free_energy=-65.34278866 stress="-0.030092164237127784 -0.007347456027739336 -0.010833421480918417 -0.007347456027739336 -0.011279558985810413 -0.015318913852172471 -0.010833421480918417 -0.015318913852172471 -0.01091851107605427" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50744000       2.60552000      -5.21394000       1.53971553       0.99794866       0.52215849
O       -2.93156000       0.26941000      -1.81771000       0.47466903       0.64833702       1.27879373
O        0.04933000       1.67240000      -4.28734000      -0.32837180       0.66782969       0.49762890
O       -1.42143000       0.93373000      -6.00211000      -1.28147994      -1.46420761      -1.35659356
O        1.34770000       2.54006000      -8.35902000      -0.24803204      -0.09898053       0.14120746
O       -1.41174000       0.85459000     -10.57939000       0.19758204       0.23479684      -0.32356254
O        1.35303000       2.68463000     -13.37220000      -0.05500216       0.07592596       0.33896412
O       -1.52565000       0.64332000     -15.89773000       0.04187120       0.44490137      -0.32505533
Zn       0.32517000       2.28311000      -2.39298000      -0.82748320      -1.22407983      -0.47307464
Zn      -1.89925000       0.66696000      -8.24058000       0.83392001       0.31665181       0.21121821
Zn      -2.97982000      -0.06306000     -10.89505000      -0.83663745      -0.37286167      -0.67009193
Zn      -1.91240000       0.84009000     -13.97125000       0.50904311      -0.15469500       1.06329287
Zn      -1.52397000       2.51942000     -16.48070000      -0.01979432      -0.07156671      -0.90488577
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.94431214 magmom=2.400043 free_energy=-64.96102912 stress="-0.0028153489767861676 0.00018288890013492328 0.00018849888712594052 0.00018288890013492328 -0.002750921448222895 0.0030238954351867174 0.00018849888712594052 0.0030238954351867174 -0.013744741580990122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46079000       2.54462000      -5.24316000       2.70966315       1.65697252       0.24030544
O       -2.76893000       0.46517000      -1.66642000      -0.62968817      -0.01572456      -0.00579365
O        0.17665000       1.78292000      -4.20000000      -1.67947571      -0.75314790       0.50411553
O       -1.45314000       0.85601000      -5.99749000      -1.12525466      -0.78510706      -0.96222261
O        1.27613000       2.46065000      -8.23874000      -0.36148088       0.14658109       0.34596147
O       -1.39893000       0.85243000     -10.43683000       0.44595633       0.30050561      -0.33864506
O       -0.40583000      -0.03386000     -13.13322000       0.84665292      -0.42543933      -0.47651473
O       -1.47947000       0.68406000     -15.90795000      -0.11100045      -0.21636244       0.36086930
Zn       0.41883000       2.40031000      -2.36458000       0.13093913      -0.41902234      -0.01611489
Zn      -1.98174000       0.60343000      -8.24516000       0.98169294       0.09963153      -0.21380239
Zn      -2.92729000      -0.06339000     -10.95473000      -1.27414357      -0.42335251      -0.88868843
Zn      -1.98532000       0.82201000     -13.99904000      -0.10857230       0.26943151       1.55466029
Zn      -1.49927000       2.46948000     -16.56893000       0.17471126       0.56503389      -0.10413027
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.29047583 magmom=2.0902092 free_energy=-65.30234712 stress="0.035399194897551715 0.019648976730343763 0.0018292672555267884 0.019648976730343763 0.01727846371031006 0.021237595498684734 0.0018292672555267884 0.021237595498684734 0.012322725037731371" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.69292000       2.54426000      -5.26668000       1.11666243       0.36565880       0.18752063
O       -2.72732000       0.65777000      -1.57695000      -0.17228730      -0.61099022      -0.80844387
O        0.08535000       1.82008000      -4.17070000      -0.84636554      -0.58784090       0.02419545
O       -1.64656000       0.66812000      -6.00720000      -0.39453953       0.51518500       0.28565571
O        1.14120000       2.40370000      -7.98410000       1.20116732       0.13054584      -0.07697878
O       -1.30038000       0.90883000     -10.38971000      -0.74604723      -0.52578991       0.02824618
O       -0.37671000      -0.05977000     -13.05298000       0.27609868      -0.31244617      -0.48214183
O       -1.45634000       0.68534000     -15.87754000      -0.11414829      -0.14017278       0.72198452
Zn       0.50896000       2.48774000      -2.32993000      -0.40850605       0.19768277      -0.60647158
Zn      -2.00636000       0.55271000      -8.27995000      -0.46840749       0.12071723      -0.53149000
Zn      -2.94820000      -0.08623000     -11.05780000      -0.11749487       0.36524845      -0.43618155
Zn      -2.05542000       0.81889000     -13.93214000       0.56347436       0.18171197       0.56799185
Zn      -1.46760000       2.44900000     -16.64380000       0.11039352       0.30048992       1.12611328
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.64095644 magmom=2.002908 free_energy=-64.64536322 stress="0.016158677491544635 -0.015291787030175594 0.01026039299699161 -0.015291787030175594 0.02010752724872117 0.017395696328463117 0.01026039299699161 0.017395696328463117 0.02942423262702499" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.60047000       2.55600000      -5.30830000      -4.10261906      -1.41438242       1.41733347
O       -2.71802000       0.73256000      -1.67809000       0.56838905      -0.50194584       0.60893466
O       -0.16176000       1.74705000      -4.18961000       0.33285536      -0.41690300       0.56534688
O       -1.84885000       0.62596000      -5.83098000       3.62236108       2.09068423      -1.54061841
O        1.23483000       2.38736000      -7.64916000      -0.00062280       0.05774496      -0.62703873
O       -1.35734000       0.86017000     -10.35870000      -0.65027789      -0.30216145      -0.12350018
O        1.31793000       2.61849000     -13.11022000      -0.71050613       0.04484946       0.17391297
O       -1.45481000       0.65328000     -15.74545000      -0.02003441       0.14074873      -0.72835622
Zn       0.58439000       2.59394000      -2.31774000      -1.22576056      -0.23777032      -1.57909729
Zn      -2.04378000       0.50119000      -8.35995000       0.79516249       0.34218024      -0.08954958
Zn      -1.38228000       2.69273000     -11.20985000      -0.04977508      -0.02116597       1.10220719
Zn      -2.09811000       0.82768000     -13.81723000       1.32794233      -0.06176645      -0.77775132
Zn      -1.42532000       2.44662000     -16.65133000       0.11288562       0.27988782       1.59817657
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.21668681 magmom=1.9703167 free_energy=-64.21846235 stress="0.02299560590367591 -0.004004262661626276 -0.021933515096764545 -0.004004262661626276 0.008342518743861077 -0.015919555752389118 -0.021933515096764545 -0.015919555752389118 0.03809918121856045" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.65897000       2.52829000      -5.32695000      -0.45695350       2.15337117       0.37953581
O       -2.60527000       0.70023000      -1.68241000      -0.38068323       0.12420404       0.84396630
O       -0.39680000       1.61343000      -4.14719000       1.44581764       0.60346186       1.10169417
O       -1.64016000       0.79893000      -5.75368000      -1.07022233      -3.06900891      -1.03889466
O        1.38810000       2.40670000      -7.39868000      -0.24403197       0.22953262      -2.19471813
O       -1.56009000       0.73929000     -10.35946000       0.34515687       0.26031363      -0.36387222
O        1.28120000       2.55480000     -13.11703000      -0.44123765       1.18796816       0.32219952
O       -1.45551000       0.64990000     -15.73410000       0.20674352       0.20684200       0.29114188
Zn       0.60090000       2.69195000      -2.38618000      -0.26695712      -0.74080268      -1.15803861
Zn      -2.04567000       0.46730000      -8.44423000       0.77769623       0.47398164       1.69925823
Zn      -1.42561000       2.68200000     -11.28848000      -0.69411118      -0.43626687       1.75980062
Zn      -2.07209000       0.82218000     -13.74217000       0.96715128      -1.25494273      -1.93970555
Zn      -1.37600000       2.46029000     -16.57066000      -0.18836856       0.26134605       0.29763264
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.48998234 magmom=2.0007109 free_energy=-64.49105205 stress="0.0019825699294088715 0.0035019907151050598 -0.021494429317539573 0.0035019907151050598 0.045682268271680426 0.0009868558306702262 -0.021494429317539573 0.0009868558306702262 0.037698816313922336" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47424000       2.56359000      -5.34965000       1.92146528      -1.48201597       0.76403419
O       -2.55533000       0.68297000      -1.52387000      -0.74945360      -0.08475379      -0.37335826
O       -0.40705000       1.60966000      -3.96264000       0.28607492       0.17148776      -0.85072202
O       -1.63634000       0.59714000      -5.79010000      -2.22771376       1.28455317      -0.45935175
O       -1.73406000       2.45070000      -7.50313000      -1.26453096      -0.73594262      -0.66499064
O       -1.69796000       0.67326000     -10.38898000       1.02703592       0.67942990       0.19905464
O       -0.46185000      -0.08934000     -13.04778000       1.09086269      -0.82145645      -0.27736989
O       -1.40419000       0.69657000     -15.67895000       0.28338879       0.11366206       0.48318423
Zn       0.59775000       2.75800000      -2.52119000       0.24388239      -0.25284979       0.76451282
Zn      -1.99243000       0.46192000      -8.46058000       1.47205148       0.88700503       0.78899095
Zn      -1.51813000       2.64201000     -11.27547000      -1.13062109      -0.67881146       1.27688865
Zn      -1.98552000       0.75882000     -13.76795000      -0.64109819       0.63412769      -0.94808971
Zn      -1.33214000       2.49214000     -16.45487000      -0.31134386       0.28556448      -0.70278322
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.66182706 magmom=2.0703497 free_energy=-64.67474326 stress="0.0051445713930617365 -0.001379824047673434 0.004108100907572549 -0.001379824047673434 0.028662870855692368 0.011356669729030664 0.004108100907572549 0.011356669729030664 0.007885054266796102" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45776000       2.52478000      -5.35813000      -2.87842675      -1.94938129       1.56077839
O       -2.67135000       0.64431000      -1.42842000      -0.07359663      -0.31063671      -1.05656979
O       -0.35906000       1.66398000      -3.95320000      -0.29788494      -0.36348557      -1.14795292
O       -1.93893000       0.51867000      -5.87045000       3.21373401       2.18436638      -0.85074646
O        1.33399000       2.38637000      -7.75170000       0.18836100      -0.01897112      -0.31638317
O       -1.65628000       0.73303000     -10.38765000      -0.34799100      -0.16881776      -0.22889559
O       -0.37989000      -0.07746000     -13.03247000       1.12377572      -0.70689837      -0.44538347
O       -1.27543000       0.77811000     -15.57081000       0.23415138      -0.09490485      -1.41572144
Zn      -0.99392000       0.02718000      -2.60875000      -0.13910165       0.20512252       1.77986963
Zn      -1.85970000       0.50122000      -8.42927000      -0.10360162       0.19669264       0.49709344
Zn      -1.67717000       2.56349000     -11.18435000       0.12034387       0.04169208       0.91897123
Zn      -1.92341000       0.71452000     -13.84411000      -1.06846278       0.56103802       1.62782460
Zn      -1.29957000       2.54406000     -16.36258000       0.02869941       0.42418403      -0.92288444
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.96911607 magmom=2.0517715 free_energy=-64.97966389 stress="0.01865067886527982 0.025731474404747476 -0.010009876147107988 0.025731474404747476 -0.018165204324020055 -0.005324234862284167 -0.010009876147107988 -0.005324234862284167 0.025033354874429085" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36763000       2.42085000      -5.33609000      -0.46962263       1.97029028       0.30748591
O       -2.76151000       0.55985000      -1.57003000       1.21996698       0.07647491      -0.01608378
O       -0.38609000       1.66585000      -4.21212000       0.76030545      -0.17620564       0.54372192
O       -1.86993000       0.69782000      -5.94685000      -0.08213529      -1.93551769      -0.63936659
O        1.25359000       2.31570000      -7.89374000       1.47218687       0.77408118       0.23556663
O       -1.67476000       0.74482000     -10.39613000      -0.72462701      -0.80514803       0.13768303
O        1.49514000       2.56501000     -13.09158000      -0.98359780      -0.33657812       0.32161790
O       -1.15323000       0.82517000     -15.68048000      -0.87606035      -0.16761666       0.39686017
Zn      -1.00037000       0.07939000      -2.60422000      -1.59547237      -0.48497935       0.63479779
Zn      -1.75314000       0.54955000      -8.39318000      -1.31994555      -0.33266134      -0.08306538
Zn       1.40816000       2.50894000     -11.06985000       0.67165932       0.64100279      -0.65432909
Zn      -1.91289000       0.70893000     -13.84976000       1.30429131       0.35630937       0.47039132
Zn      -1.26878000       2.60882000     -16.33657000       0.62305107       0.42054831      -1.65527985
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26447191 magmom=2.0225505 free_energy=-65.27187154 stress="-0.00667704543376645 0.008208129877362396 -0.0034912454078920487 0.008208129877362396 -0.004834736807064512 -0.014333329991130028 -0.0034912454078920487 -0.014333329991130028 0.02408070550969308" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.27725000       2.39730000      -5.34282000       1.23249761       1.26871613      -0.73994056
O       -2.62892000       0.50808000      -1.73365000      -1.40447794       0.44685007       1.03730614
O       -0.31150000       1.65630000      -4.39213000       0.11363312      -0.62570430       1.56042591
O       -1.80475000       0.62882000      -5.98231000      -1.01292237      -0.54336697      -0.66759226
O       -1.73798000       2.42318000      -7.88461000      -0.16058867       0.13113647      -0.12053371
O       -1.84073000       0.61258000     -10.38575000      -0.16820524       0.10048709       0.05094594
O       -1.66335000       2.41267000     -13.08155000      -0.46111314       1.23303467       0.44099494
O       -1.21074000       0.82943000     -15.73459000      -0.11132473       0.06656433       0.05612057
Zn      -1.07369000       0.09611000      -2.54829000       0.99335689      -0.83620487      -0.34949457
Zn      -1.73401000       0.56848000      -8.37539000      -0.06069719      -0.05797439       0.35193812
Zn       1.34039000       2.48725000     -11.01016000       0.38249697      -0.16031285      -0.79835097
Zn      -1.85175000       0.71299000     -13.82024000       0.65721330      -1.07276475       0.32859609
Zn      -2.81851000      -0.10866000     -16.37755000       0.00013139       0.04953937      -1.15041564
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.34579825 magmom=2.0095826 free_energy=-65.34980134 stress="-0.023059383922075016 -0.011175336481354804 -0.018608346472508957 -0.011175336481354804 0.0337777662508755 -0.00796100573083584 -0.018608346472508957 -0.00796100573083584 0.025080530384930706" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.25015000       2.42829000      -5.42832000       1.64572241      -0.49880427       0.56804835
O       -2.74325000       0.56826000      -1.69808000       0.29880651       0.49273922       0.20039795
O       -0.18968000       1.55942000      -4.32003000      -0.70710072      -0.03122222       0.44426508
O       -1.89233000       0.49858000      -5.99181000      -0.14646547       1.19346437      -0.51927810
O       -1.62787000       2.53744000      -7.80238000      -1.95103053      -1.23985193      -0.06283314
O       -2.00729000       0.50884000     -10.35248000       1.32925296       0.91598937       0.45102325
O        1.47638000       2.50434000     -12.99874000      -0.07228032       0.20668634      -0.40727551
O       -1.28719000       0.86387000     -15.76715000       0.85886335       0.50252773       0.46137898
Zn      -1.10997000       0.06051000      -2.50422000      -0.53994336      -0.97703752      -0.57966774
Zn      -1.70540000       0.59244000      -8.35756000       1.00664947       0.81603356      -0.03034533
Zn       1.28527000       2.45597000     -10.99729000      -0.90700410      -0.75301480      -0.65069988
Zn      -1.74509000       0.66873000     -13.76618000       0.24564066      -0.11779490       0.10240817
Zn      -2.77006000      -0.03688000     -16.50224000      -1.06111086      -0.50971494       0.02257793
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.94449844 magmom=2.0179633 free_energy=-64.9468434 stress="0.004972218890587871 0.023561180109563117 -0.02346918475269266 0.023561180109563117 0.028009001521687917 0.002906554813959747 -0.02346918475269266 0.002906554813959747 0.028389084998187486" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29796000       2.44163000      -5.53618000      -0.36524150      -0.25506007       1.73187275
O        0.30554000       0.79536000      -1.62342000       0.96617421       0.40519587      -1.38258429
O       -0.16145000       1.45362000      -4.18525000      -0.52510802       0.68214747      -0.91381943
O       -1.95783000       0.57001000      -5.97679000       1.09467475       0.01806868      -0.32542662
O        1.32895000       2.41315000      -7.61166000       0.82158176       0.19614713      -0.05434486
O       -1.95575000       0.57049000     -10.24490000      -0.24009650      -0.12203929      -0.46097013
O        1.43063000       2.65245000     -12.96110000       1.94887214      -1.25882517       0.64093411
O       -1.21223000       1.00000000     -15.73537000      -0.15038365      -0.11904198       0.10204087
Zn       0.44496000       2.74534000      -2.51108000      -1.01536749      -0.67403021      -0.41927366
Zn      -1.63038000       0.66176000      -8.34563000      -1.08767386      -0.20521539       0.34587657
Zn       1.18700000       2.38516000     -11.01830000       0.45417393       0.22675528      -0.05970476
Zn      -1.62342000       0.61191000     -13.70438000      -1.74998951       1.40808526      -1.54971606
Zn      -2.76629000       0.01699000     -16.62507000      -0.15161626      -0.30218759       2.34511553
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.5514966 magmom=2.0001537 free_energy=-64.55149821 stress="0.03677853227603407 0.0238280861325623 -0.001672824827927985 0.0238280861325623 -0.002197496133879424 0.009387615344486745 -0.001672824827927985 0.009387615344486745 0.0260752711390457" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33776000       2.44438000      -5.54651000       0.41591246       0.40143316       2.86517168
O        0.36419000       0.99961000      -1.74745000       0.18585836      -3.12085235       1.41402302
O       -0.24702000       1.49747000      -4.27819000      -0.28714035       0.59854727      -0.62545465
O       -1.83840000       0.61860000      -5.94346000      -0.54359505      -0.93425445      -0.18300280
O        1.20532000       2.33920000      -7.43789000       0.74209339       0.88208221      -2.11164682
O       -1.92219000       0.61126000     -10.20462000      -0.26387623      -0.65220254      -0.25849995
O       -1.51920000       2.56742000     -12.86872000      -0.42818780      -0.29327131      -0.87073903
O       -1.15100000       1.10843000     -15.67965000      -0.24509007      -0.55889167      -0.33073980
Zn       0.34370000       2.62381000      -2.52918000      -0.06114076       2.30565781      -1.38830332
Zn      -1.60583000       0.71742000      -8.31988000      -0.43246212      -0.53085246       0.57700619
Zn       1.10955000       2.32633000     -11.04424000       0.49564497       0.67270342       0.38428737
Zn      -1.57042000       0.62052000     -13.71296000       0.47249473       0.60792326      -0.50852571
Zn      -2.77746000       0.05887000     -16.63438000      -0.05051153       0.62197765       1.03642383
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.84814813 magmom=1.9991522 free_energy=-64.84819334 stress="0.007948362043656156 0.027148107777456843 0.0006596395904668042 0.027148107777456843 -0.003107457570760229 -0.0016608440389495418 0.0006596395904668042 -0.0016608440389495418 0.029547141354716745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39745000       2.45816000      -5.42338000      -1.00417424       0.13222773      -1.44905768
O       -2.75624000       0.67007000      -1.72469000      -1.43190408       0.52141204      -0.52730609
O       -0.37859000       1.66666000      -4.49321000       1.59699335      -1.12633865       3.09835056
O       -1.81660000       0.55213000      -5.89636000      -0.63833025       1.44501260      -1.03498385
O        1.28926000       2.44910000      -7.52883000       1.22382714       0.22975637       0.00635314
O       -1.95895000       0.51883000     -10.20740000      -0.37312184       0.02066830      -0.28295709
O       -1.27876000       2.38834000     -12.90201000      -0.76221174       0.52215091      -0.14444624
O       -1.14578000       1.10020000     -15.70408000      -0.24262926      -0.32074227      -0.39995449
Zn       0.23019000       2.57976000      -2.60515000       1.18529110      -0.98066219      -0.30203726
Zn      -1.61470000       0.74805000      -8.27479000      -1.01433467      -0.43247443      -0.14462029
Zn       1.06035000       2.29949000     -11.06006000       0.89513777       0.21967062       0.18075940
Zn      -1.49939000       0.67057000     -13.76200000       0.49943533      -0.31503128      -0.03593949
Zn      -2.79252000       0.13334000     -16.56469000       0.06602138       0.08435025       1.03583939
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.11159716 magmom=2.0065818 free_energy=-65.11383169 stress="0.016893884980349355 -0.00614147658395291 0.0013348069446501812 -0.00614147658395291 0.0032639367920553296 -0.03225537647915228 0.0013348069446501812 -0.03225537647915228 0.029030584709677974" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41673000       2.47919000      -5.38200000      -0.79419513       1.45091223       0.16617239
O       -2.95459000       0.35234000      -1.75037000      -0.87105059       0.43356956       0.09181674
O       -0.28041000       1.67795000      -4.27378000      -0.13677558      -0.68502035      -1.57666443
O       -1.89326000       0.71370000      -5.94119000       1.40811703      -0.77212997      -0.08026573
O       -1.62340000       2.61634000      -7.60893000      -1.27793562      -0.58272959      -0.43182764
O       -2.06864000       0.41970000     -10.24663000       0.09537509       0.43302684      -0.05299214
O       -1.20133000       2.34343000     -12.96210000      -0.57680087       1.30444522       0.22980659
O       -1.19884000       1.02797000     -15.79248000      -0.13382132       0.44935562       0.75225489
Zn       0.17733000       2.50676000      -2.69087000       1.20514518      -0.05687660       2.45032335
Zn      -1.67264000       0.75277000      -8.24176000       0.28837088      -0.05912670      -0.40082068
Zn       1.05834000       2.28681000     -11.06921000       0.72484056      -0.02296475       0.09822980
Zn      -1.40034000       0.70052000     -13.81968000       0.17387300      -1.12713441       0.08170249
Zn      -2.80416000       0.21324000     -16.44968000      -0.10514261      -0.76532709      -1.32773563
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13290281 magmom=2.0059364 free_energy=-65.13471219 stress="-0.0045244790092994975 -0.014830395270738431 -0.019360666787480316 -0.014830395270738431 0.013140107043559227 -0.021169102675499485 -0.019360666787480316 -0.021169102675499485 0.026015347820509155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39703000       2.56420000      -5.39569000       0.92964732       0.65836798       0.14111229
O       -0.03301000       0.22446000      -1.72981000       2.75738408       1.10321373       1.22662343
O       -0.19000000       1.55567000      -4.33613000      -0.09301666       1.02714428      -0.07854360
O       -1.75193000       0.77402000      -5.91910000      -0.50449482      -1.32076422      -0.77002294
O       -1.63505000       2.63198000      -7.63450000      -1.22340055      -0.49174493      -0.12143793
O       -2.13166000       0.42570000     -10.28394000       0.72126939       0.35198264       0.19312959
O       -1.27461000       2.54239000     -12.99809000      -0.69229459      -0.12991841      -0.43127086
O       -1.25673000       1.05538000     -15.75296000       0.27341159       0.58893240       0.03083279
Zn       0.17890000       2.42615000      -2.65542000      -2.36890052      -1.25730694       0.49556421
Zn      -1.70387000       0.75761000      -8.24889000       0.48602891       0.07555996      -0.50501148
Zn       1.09342000       2.27606000     -11.07266000       0.18977562       0.14485116      -0.00333367
Zn      -1.30378000       0.67670000     -13.85308000       0.18205614       0.10054982       1.41499065
Zn      -2.82479000       0.24359000     -16.41022000      -0.65746590      -0.85086748      -1.59263249
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13584963 magmom=2.0002395 free_energy=-65.13608455 stress="-0.00881759871327165 0.03540417082211365 -0.015836795363628864 0.03540417082211365 0.005648227612684437 0.01379455082109759 -0.015836795363628864 0.01379455082109759 0.02588952812161769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43455000       2.66223000      -5.44921000       0.98285389      -2.32528591      -0.39085827
O        0.13181000       0.28754000      -1.60267000      -0.23130200       0.28190091      -1.98262753
O       -0.12477000       1.62357000      -4.49685000      -0.02446831       0.95001020       2.04154289
O       -1.71776000       0.66250000      -5.94072000      -1.35944814       1.76548941      -0.96027367
O        1.29739000       2.52564000      -7.58294000       1.34818896       0.37437386      -0.33057096
O       -2.04183000       0.50408000     -10.27642000       0.27643807      -0.29073566      -0.07210830
O       -3.04107000      -0.08581000     -13.05458000       2.28222799      -1.74042921       1.67805523
O       -1.27384000       1.20137000     -15.70775000      -0.20184985      -0.51390373      -0.27261948
Zn       0.09247000       2.29663000      -2.54555000       0.14848536      -0.71761362       0.67567167
Zn      -1.70892000       0.76686000      -8.29943000      -0.97188048      -0.48647679      -0.09233768
Zn       1.14416000       2.27658000     -11.07837000       0.39219934       0.70582289      -0.26586997
Zn      -1.21424000       0.66148000     -13.81987000      -2.68225786       1.73589485      -0.66859239
Zn      -2.87614000       0.22951000     -16.44727000       0.04081304       0.26095280       0.64058846
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4223407 magmom=1.9988472 free_energy=-65.42259472 stress="0.031164867188654962 0.019861709013149022 0.015407429467841103 0.019861709013149022 -0.019955348601976057 0.01168857301802915 0.015407429467841103 0.01168857301802915 0.022875808973981504" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49632000       2.64766000      -5.54372000      -1.83143597      -0.04293183       1.74660620
O       -2.93535000       0.43144000      -1.74564000      -1.02998055      -0.95620646       1.61929099
O       -0.06334000       1.86800000      -4.33519000      -0.27257171      -0.30102464      -1.18892362
O       -1.84207000       0.80056000      -6.05585000       1.71651797      -0.09616010       0.07584368
O        1.27796000       2.50976000      -7.56517000       1.05062762       0.91348255      -1.38820625
O       -1.88784000       0.52916000     -10.28337000      -0.17936886      -0.19952479      -0.38555854
O       -1.28139000       2.57127000     -12.92374000      -0.19828237       0.07983685      -1.05004624
O       -1.32173000       1.23531000     -15.72000000       0.00640697      -0.85088045       0.07532874
Zn       0.00982000       2.12840000      -2.41556000       0.94736108       0.77467254      -1.04096814
Zn      -1.75991000       0.74865000      -8.35661000      -0.56244057      -0.41677917       0.69718747
Zn       1.21488000       2.31181000     -11.09353000       0.50779321       0.40894871       0.48280432
Zn      -1.22930000       0.71809000     -13.79203000      -0.15040797       0.17008240       0.68180051
Zn      -2.92821000       0.22672000     -16.47109000      -0.00421884       0.51648439      -0.32515911
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.5693653 magmom=2.0016432 free_energy=-65.56953609 stress="0.014549522454247512 0.004043366072065954 0.012861088417150371 0.004043366072065954 -0.02885167311761088 -0.0039519100689651004 0.012861088417150371 -0.0039519100689651004 0.011022834948859592" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46870000       2.63625000      -5.56363000       0.47562317       2.12086307       1.16088718
O       -3.00288000       0.32316000      -1.63461000      -0.81549705      -0.86317636      -0.58551885
O       -0.06319000       2.03103000      -4.39093000      -0.19215835      -0.78939937       0.15690007
O       -1.71462000       0.88634000      -6.07483000      -0.24791374      -1.39326857      -0.52000100
O        1.47615000       2.66389000      -7.72329000      -1.07038375      -0.66707813      -0.02467119
O       -1.79542000       0.51527000     -10.34010000      -0.42788207       0.29057293      -0.07334063
O       -1.12654000       2.45435000     -12.93120000      -0.51015861       1.26551763      -0.35396277
O       -1.36561000       1.10336000     -15.72707000       0.02972183       0.11162618       0.07241590
Zn      -0.01814000       2.03118000      -2.35485000       0.73759754       0.74219462      -1.41985914
Zn      -1.83167000       0.71477000      -8.38253000       1.12449120       0.67019525       0.11128173
Zn       1.30557000       2.36465000     -11.09075000       0.77208360       0.02946777       0.18810492
Zn      -1.26650000       0.77880000     -13.74670000       0.09277361      -1.12384456      -0.12567895
Zn      -2.97297000       0.24554000     -16.49091000       0.03170261      -0.39367046       1.41344273
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.83589466 magmom=2.0013729 free_energy=-65.83686652 stress="-0.01856179244155402 -0.007522803743061585 0.002220253387684435 -0.007522803743061585 0.007172364151876158 0.004101657953739628 0.002220253387684435 0.004101657953739628 0.026087275190128652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46421000       2.71284000      -5.53649000       1.40655962      -0.01288235       0.48622654
O        1.56924000       2.75414000      -1.63666000       0.43327684       0.88603929      -0.44748716
O       -0.09228000       2.01817000      -4.46450000      -0.06761748      -1.20010456       1.03260585
O       -1.64321000       0.82076000      -6.09682000      -1.59165117       1.16526607      -0.65356670
O        1.42129000       2.68086000      -7.82617000      -0.33122877      -0.80830736       0.03272486
O       -1.78300000       0.56093000     -10.40743000       0.33072492       0.25364561       0.14010435
O       -1.12054000       2.58671000     -13.03610000      -1.56633769      -0.08240426       0.47029321
O       -1.40619000       0.98914000     -15.71748000      -0.06721931       0.63868761       0.24346705
Zn      -0.00713000       1.98844000      -2.37071000      -0.37713211      -0.74004894      -0.77649588
Zn      -1.83428000       0.72059000      -8.41096000       0.67431195       0.68284889       0.11114180
Zn       1.43718000       2.42213000     -11.07846000       0.09181523       0.08411265      -0.28997893
Zn      -1.29313000       0.78644000     -13.70461000       0.97329377       0.04450110      -0.59896299
Zn       0.20166000       0.25271000     -16.43483000       0.09120421      -0.91135375       0.24992799
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.72239977 magmom=2.0002734 free_energy=-65.72322253 stress="-0.018040944490606312 0.009076418262013377 -0.010739943821804144 0.009076418262013377 3.343526506662654e-05 4.1438864565910914e-05 -0.010739943821804144 4.1438864565910914e-05 0.02202724623604744" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08501000       0.01284000      -5.49250000      -1.24633020      -0.62907161       0.85540758
O        1.49084000       2.59247000      -1.72401000       1.37067512       1.45551571       1.09627070
O       -0.13535000       1.77330000      -4.40253000      -0.06886024       0.43051666      -0.65331587
O       -1.79562000       0.92998000      -6.11547000       0.98466247      -0.50581753       0.07393258
O        1.23681000       2.51550000      -7.81804000       1.17443947       1.35218703      -0.45099196
O       -1.69961000       0.67084000     -10.44342000       0.58683639      -0.12730441       0.29714409
O       -3.00598000      -0.03361000     -13.04517000       1.28258647      -1.04020659       0.55375405
O       -1.45967000       1.00755000     -15.66881000       0.02996150       0.51257443      -0.04325248
Zn      -0.03695000       1.89289000      -2.43985000      -1.19182328      -1.05820092      -0.16930666
Zn      -1.78813000       0.76999000      -8.45095000      -0.70673663      -0.72960592       0.29749921
Zn      -1.62998000       2.48178000     -11.08353000      -0.50379000       0.30080735      -0.31594508
Zn      -1.28395000       0.78711000     -13.68815000      -1.55274372       1.01779667      -0.58051519
Zn       0.16013000       0.20112000     -16.34704000      -0.15887735      -0.97919087      -0.96068098
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.77548999 magmom=2.0005568 free_energy=-65.77760054 stress="0.007583621937969051 0.008036971063508855 0.0031679649073056803 0.008036971063508855 -0.009725789964541718 -0.0008939175752576304 0.0031679649073056803 -0.0008939175752576304 0.0028184346603093314" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09072000       0.05434000      -5.47504000      -1.49995562      -2.08094865      -0.31962214
O       -1.51667000       2.75473000      -1.61547000      -0.68413745       0.20738926      -0.52947790
O       -0.20169000       1.62199000      -4.44140000       0.05314938       1.94020209       1.01322141
O       -1.81326000       0.94052000      -6.01749000       1.30135720      -0.27837566      -1.08934902
O        1.33708000       2.61637000      -7.80784000       0.89662717       0.57773139      -0.20078609
O       -1.50821000       0.74758000     -10.42077000      -0.12566755      -0.24089387       0.07730822
O       -3.06044000      -0.09127000     -12.97758000       0.70533863      -0.00515713      -0.77832095
O       -1.50530000       1.11041000     -15.63811000       0.05826194      -0.93614736      -0.00270803
Zn      -0.12575000       1.74626000      -2.51036000       0.59912325      -0.05354909       1.18143238
Zn      -1.78374000       0.78544000      -8.47662000      -0.49072146      -0.12489511       0.84665280
Zn      -1.51521000       2.55978000     -11.09729000      -0.03609532       0.31127034       0.56634598
Zn      -1.34194000       0.83912000     -13.70150000      -0.76879148       0.13492291       0.08389020
Zn       0.11497000       0.10769000     -16.31146000      -0.00848869       0.54845090      -0.84858687
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.56941003 magmom=2.0013845 free_energy=-65.57108972 stress="-0.005332947721914481 -0.008979106624846838 -0.0035997086869987115 -0.008979106624846838 -0.012085783426505983 0.012959215320238932 -0.0035997086869987115 0.012959215320238932 0.002193566723152624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15015000       0.00371000      -5.49859000       0.97265014      -0.90806099       0.72928117
O       -3.04287000       0.12791000      -1.57631000       0.23038925      -1.95425769       0.28789417
O       -0.24749000       1.77707000      -4.40443000       0.56666051       0.41071220      -0.55730975
O       -1.69403000       0.85967000      -6.02216000      -1.27310222       0.77913564      -0.84554299
O       -0.04013000       0.04094000      -7.73833000      -1.96231181      -1.35922608       0.18084287
O       -1.35799000       0.77699000     -10.37932000      -0.50550192       0.27789121      -0.03548161
O       -1.31071000       2.63312000     -13.03559000      -0.61595439       1.04963319       0.28453492
O       -1.53424000       1.02822000     -15.63519000       0.08822843      -0.57403449      -0.40418015
Zn      -0.18216000       1.61903000      -2.51124000      -0.32835283       1.89754687       0.40985062
Zn      -1.79187000       0.79229000      -8.46712000       1.92754468       1.10960456       0.44986054
Zn      -1.41238000       2.64575000     -11.08703000       0.33250899      -0.16036436       0.03382184
Zn      -1.44763000       0.89563000     -13.71582000       0.51541592      -0.95624617       0.07682739
Zn       0.07241000       0.04453000     -16.32373000       0.05182524       0.38766612      -0.61039902
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6973827 magmom=2.0006378 free_energy=-65.69738702 stress="-0.0060056983075907336 0.0005879537110768956 0.008062818681968875 0.0005879537110768956 -0.004027333719785609 -0.003716805371324515 0.008062818681968875 -0.003716805371324515 0.020480067980030783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43109000       2.69299000      -5.55200000       0.24302552       1.31429789       0.14613008
O       -1.35922000       2.72621000      -1.59244000      -1.26688736       0.77466577      -0.25993750
O       -0.17466000       2.03022000      -4.45923000       0.06742708      -1.09103516       0.72284941
O       -1.76696000       0.88751000      -6.09590000      -0.12365569      -0.20670335       0.09006543
O       -0.13782000      -0.00692000      -7.61519000       0.25465890      -0.54917257      -1.30673726
O       -1.30877000       0.86342000     -10.34313000      -0.03247734       0.16085463      -0.11728884
O       -2.93365000      -0.03867000     -13.02052000      -1.46263758      -0.47527478       0.41250006
O       -1.54505000       0.81155000     -15.70339000      -0.16275400       0.75067295       0.40680492
Zn      -0.24786000       1.57453000      -2.47594000       1.13597437      -0.51109279      -0.53319746
Zn      -1.71891000       0.85264000      -8.42272000      -0.13374537       0.31838015       1.23977857
Zn      -2.89192000      -0.06058000     -11.05034000      -0.24642905      -0.13360775      -0.01667319
Zn      -1.52106000       0.91439000     -13.72868000       1.38399182       0.40609967      -0.45669231
Zn       0.03240000      -0.00058000     -16.37144000       0.34350869      -0.75808465      -0.32760192
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35005991 magmom=2.0007714 free_energy=-65.35008894 stress="0.014312638938989068 0.018709247763853028 0.00505397203708841 0.018709247763853028 -0.04163816271185475 -0.0030285306732145273 0.00505397203708841 -0.0030285306732145273 0.014392302965004045" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42741000       2.64518000      -5.60321000      -0.75915720       1.89007277       1.38566881
O       -1.54659000       2.60565000      -1.63551000      -0.94483603       0.06023262      -0.71451117
O       -0.07183000       2.11389000      -4.41671000      -0.64881460      -1.08547128       0.54614642
O       -1.88995000       0.89710000      -6.09459000       1.21764793      -1.34823382      -0.38492036
O        1.34041000       2.61566000      -7.66224000       0.83577674       1.86346844       0.02075011
O       -1.26899000       1.00220000     -10.30755000       0.24613081      -0.21928810       0.30462392
O       -0.03438000       0.04104000     -12.95068000       0.81928097      -0.34768662      -0.40477831
O       -1.58866000       0.71749000     -15.71450000      -0.13264374       0.66996592       0.07379331
Zn      -0.26172000       1.51186000      -2.46509000       1.00371148       0.17712403      -0.61046751
Zn      -1.62430000       0.94243000      -8.32216000      -0.42667396      -1.41452837      -1.01365120
Zn      -2.76381000       0.02721000     -11.03214000      -0.75448706       0.11937684      -0.08155462
Zn      -1.53930000       0.94827000     -13.76056000      -0.59614847       0.20905689       0.40115914
Zn       0.00406000      -0.09264000     -16.44420000       0.14021313      -0.57408932       0.47774147
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.46721602 magmom=1.9998938 free_energy=-65.46721969 stress="0.012738491165730035 0.01748225539330002 -0.01607903358191357 0.01748225539330002 -0.01227809729253041 0.014294396992614013 -0.01607903358191357 0.014294396992614013 0.025095880459123976" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37951000       2.67469000      -5.59691000       0.70997615      -0.20660890       2.08250905
O        1.23576000       2.51494000      -1.76689000       0.91475181      -0.38554344       0.79664810
O       -0.06634000       1.98752000      -4.32104000      -0.50768662      -0.59342646      -1.51615116
O       -1.80849000       0.76176000      -6.06687000      -0.12818532       1.26449869      -0.17448134
O       -0.16502000      -0.02721000      -7.62540000       1.32715743      -0.33175292       0.14810186
O       -1.17835000       1.10568000     -10.21935000       0.07849791      -0.23993321      -0.40771431
O       -0.19931000       0.01918000     -12.93560000       1.33298299      -0.30640802       0.19440406
O       -1.66829000       0.76410000     -15.71780000       0.03068562      -0.34951645      -0.45955244
Zn      -0.21555000       1.45222000      -2.49158000      -0.58019186       0.51323866       0.01390546
Zn      -1.55781000       0.97871000      -8.26605000      -1.26708572       0.01895344      -0.99095571
Zn      -2.67126000       0.12513000     -11.01791000      -0.78036802       0.10484888      -0.08897481
Zn      -1.58643000       1.00038000     -13.77745000      -0.89042035       0.20178291       0.38347994
Zn      -1.63137000       2.55946000     -16.52445000      -0.24011400       0.30986682       0.01878131
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4465293 magmom=2.000385 free_energy=-65.44806368 stress="0.010816460560600887 -0.00916804349739267 -0.026851662576700606 -0.00916804349739267 0.0011577158447573822 -0.012869975364953224 -0.026851662576700606 -0.012869975364953224 0.025170807828829356" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37549000       2.70096000      -5.49489000       2.06103997       0.32321353       0.43100692
O        1.09166000       2.41688000      -1.73571000       1.74823405       0.92643529       0.00510463
O       -0.15486000       1.74268000      -4.49726000      -0.26954272       0.07929793       1.09398420
O       -1.73253000       0.84475000      -6.00225000      -0.62104029       0.20083781      -0.21512833
O       -3.09939000       0.10427000      -7.53800000      -1.57491678      -1.01387839      -1.25294083
O       -1.07712000       1.14924000     -10.20759000      -0.15594953      -0.07045013      -0.36498009
O       -0.07807000      -0.03426000     -12.89998000       0.23578758       1.04345301      -0.42518839
O       -1.73521000       0.72649000     -15.78643000       0.16104524      -0.86896798       0.52986623
Zn      -0.21787000       1.40889000      -2.52976000      -1.45078485      -0.55317240      -0.51849315
Zn      -1.54556000       0.99702000      -8.26889000       0.55607175       0.30727933       0.11317640
Zn      -2.62733000       0.22078000     -11.00948000      -0.47234469      -0.18095536       0.24941827
Zn      -1.67444000       1.05155000     -13.77458000       0.01489982      -1.11472014       0.00765195
Zn      -1.66264000       2.45799000     -16.57304000      -0.23249955       0.92162751       0.34652218
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.45944205 magmom=2.0017559 free_energy=-65.46101871 stress="0.009326496427428084 -0.01293848472189615 -0.006007628850053934 -0.01293848472189615 -0.006648579945375271 -0.01114019700967041 -0.006007628850053934 -0.01114019700967041 0.008942200487762854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47885000       2.73856000      -5.41445000      -0.16041398      -0.15243764      -0.87010852
O        1.33006000       2.47956000      -1.74929000      -0.00175805      -1.33927067      -0.89882211
O       -0.24717000       1.60808000      -4.45538000       0.68263768       1.98020527       1.26616186
O       -1.76215000       0.92834000      -5.91974000       0.17998364      -1.43696389      -1.07283024
O       -3.10579000       0.02895000      -7.60419000      -0.63456944       0.35746438      -0.36081476
O       -1.02005000       1.17798000     -10.26485000      -0.39446846       0.21623580       0.23995796
O        0.09191000       0.09694000     -12.95089000      -1.13995967      -0.59249532       0.22495908
O       -1.75617000       0.52938000     -15.76541000       0.38946176       0.45594966       0.10143998
Zn      -0.29670000       1.34624000      -2.58255000       0.00376529       1.32195886       1.06766987
Zn      -1.51535000       1.02776000      -8.27920000       0.29610019      -0.57781561      -0.07003912
Zn      -2.61372000       0.30104000     -10.99272000      -0.30197649      -0.50855386      -0.25145919
Zn      -1.75574000       1.05074000     -13.76878000       1.35026717       0.36469677      -0.53033734
Zn      -1.70588000       2.40523000     -16.58605000      -0.26906963      -0.08897374       1.15422254
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.0120396 magmom=2.0001172 free_energy=-65.01260291 stress="-0.023980103361398393 0.021467862477499957 0.019570793265191552 0.021467862477499957 0.00010858161187818027 0.004342000269936782 0.019570793265191552 0.004342000269936782 0.01903921969275062" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00957000      -0.01694000      -5.39291000      -2.10219618      -1.07479037       0.56180653
O       -1.65775000       2.32204000      -1.93104000      -3.02099699       1.78471991       2.64448036
O       -0.19179000       1.86102000      -4.32052000       0.78174270      -0.18040501      -1.67672334
O       -1.72808000       0.79446000      -5.94274000       1.64803640       1.67522132      -0.85741210
O       -0.08500000      -0.00136000      -7.67030000       1.29674949       0.11566705       0.34179576
O       -1.04731000       1.25624000     -10.28368000      -0.15785910       0.10219865      -0.01909154
O        0.01439000       0.13336000     -12.96918000      -0.73926241      -0.40121808      -0.00833628
O       -1.70385000       0.39403000     -15.72655000      -0.38858438       0.74802930      -0.29716007
Zn      -0.37879000       1.32492000      -2.55953000       2.69115775      -1.85825947       0.26188623
Zn      -1.46363000       1.03107000      -8.30594000      -1.05023032      -0.18513649      -0.23637307
Zn      -2.62010000       0.36096000     -10.98744000      -0.53922112      -0.44987311      -0.40760689
Zn      -1.76728000       1.06368000     -13.78881000       1.07822176       0.18439686       0.17244749
Zn      -1.76464000       2.34584000     -16.53656000       0.50244241      -0.46055057      -0.47971307
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.23898436 magmom=1.9999828 free_energy=-65.23907977 stress="0.025265693416364702 0.025174615611267822 -0.007739710621796636 0.025174615611267822 -0.0035479949065550615 0.013301932217284793 -0.007739710621796636 0.013301932217284793 0.03431535189456686" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.17582000      -0.02387000      -5.43380000       0.87308097       0.82802752      -1.56330642
O        1.30997000       2.34524000      -1.67801000       0.03539169      -1.01827051      -1.04660333
O        0.03446000       2.11228000      -4.50126000      -0.24223499      -1.85626699       2.65874197
O       -1.49167000       0.92905000      -6.03217000      -1.26276423       0.78676018      -0.10410806
O       -0.02217000       0.00551000      -7.60122000       1.13703586       0.29386103      -0.67969923
O       -1.12587000       1.37110000     -10.30123000       0.10156041      -0.44987314      -0.04945138
O       -0.28546000       0.05671000     -12.96374000       0.96945331       0.30776668       0.11298454
O       -1.72624000       0.41674000     -15.74568000      -0.59906159       0.24250869       0.30607348
Zn      -0.36300000       1.24550000      -2.48370000       0.31559061       1.46343858      -0.44864005
Zn      -1.45932000       1.01639000      -8.35913000      -0.56143851      -0.20336637       0.67465590
Zn      -2.66246000       0.40666000     -11.00928000      -0.80317420      -0.02058954      -0.68035528
Zn      -1.70899000       1.09480000     -13.80980000      -0.46406759      -0.53654016       0.28434901
Zn      -1.80993000       2.24784000     -16.49050000       0.50062826       0.16254402       0.53535887
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.91611255 magmom=2.0001216 free_energy=-64.91612748 stress="0.035757983006513734 0.0020066444037828268 -0.012465785881975592 0.0020066444037828268 -0.015364821855725335 -0.00020018832869989664 -0.012465785881975592 -0.00020018832869989664 0.03810444411522897" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.10034000       0.02969000      -5.55909000       1.02636755       2.74922482       1.99097530
O        0.99623000       2.27043000      -1.58933000       1.31909729       0.49667098      -0.41420570
O        0.21861000       2.04880000      -4.29638000      -0.65577996      -0.26282159      -0.75538887
O       -1.43027000       1.12056000      -6.06322000      -0.39347017      -2.93878375      -0.15579958
O       -2.94499000       0.06233000      -7.61207000      -1.16299608       0.06243219      -0.89416943
O       -1.18700000       1.39345000     -10.32104000       0.00983001      -0.40641105       0.08984438
O       -0.37605000       0.02633000     -12.93449000       1.13003019       0.01051904       0.26988825
O       -1.86405000       0.45653000     -15.69699000       0.06611392      -1.13694309       0.58682978
Zn      -0.31500000       1.21422000      -2.43576000      -0.82388948      -0.07577433      -0.50994677
Zn      -1.48717000       0.99955000      -8.38731000       0.95276946       0.36634814       0.26201422
Zn      -2.74375000       0.44639000     -11.06545000      -0.59504136      -0.09085723      -0.46101931
Zn      -1.67488000       1.10207000     -13.81421000      -0.73376912      -0.21120281       0.29775576
Zn      -1.82711000       2.16985000     -16.42658000      -0.13926225       1.43759869      -0.30677802
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.10126725 magmom=2.0008196 free_energy=-65.10154052 stress="-0.0034232614112552654 -0.012245497934056486 -0.0023407624860531232 -0.012245497934056486 0.027231126077857198 0.001158784166425405 -0.0023407624860531232 0.001158784166425405 0.034863601674645035" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.98228000       0.17797000      -5.58818000      -0.85446455      -2.15639974       2.43610757
O        1.01960000       2.29146000      -1.60514000       1.06786665      -0.17009589       0.63943203
O        0.23840000       1.91757000      -4.26659000      -0.52565523      -0.26408080      -1.11455700
O       -1.42195000       0.93399000      -6.02659000       1.18446472       2.19472314      -0.85131230
O       -2.96213000       0.11950000      -7.70887000      -0.99435449      -0.40829199       0.19417492
O       -1.24377000       1.32763000     -10.32399000      -0.25756261       0.09106993      -0.38258173
O       -0.22193000       0.01751000     -12.88992000       0.10828338       0.39317620      -1.23653868
O       -1.96225000       0.30514000     -15.55795000       0.71789658       0.28234751      -0.50067835
Zn      -0.31789000       1.18947000      -2.42444000      -0.54970202       0.48101898      -0.75582146
Zn      -1.45552000       1.00594000      -8.40569000       0.90383771       0.48000675      -0.00287613
Zn      -2.84292000       0.47481000     -11.13327000       0.13052337      -0.29991541       1.02384734
Zn      -1.68248000       1.09256000     -13.79574000      -0.17943349      -0.62412315       1.03621827
Zn      -1.85117000       2.16533000     -16.37994000      -0.75170002       0.00056446      -0.48541447
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.99212386 magmom=2.0005078 free_energy=-64.99342507 stress="-0.01019225916044524 0.007760188688680184 0.0026978889866971652 0.007760188688680184 0.013155350007214387 -0.013481969977326485 0.0026978889866971652 -0.013481969977326485 0.012087649544111987" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.87551000       0.24159000      -5.50432000      -0.68041466      -3.26620168      -0.99836894
O       -1.88800000       2.28982000      -1.53763000      -0.00145681      -0.81829764      -1.56039014
O        0.14125000       1.72360000      -4.45219000       0.37379792       2.10129998       2.71268873
O       -1.29286000       1.04229000      -6.04944000      -0.77443629       0.79654140      -0.67226142
O        0.03304000       0.07363000      -7.70107000       1.93034972      -0.10966757      -0.36786691
O       -1.36168000       1.27262000     -10.39636000      -0.01860608       0.43800867      -0.13794240
O       -0.01032000       0.09969000     -13.06619000      -0.82049580      -0.03554706       0.62051364
O       -1.90967000       0.17898000     -15.51771000       0.29544326       0.68570331      -0.75314671
Zn      -0.35949000       1.18617000      -2.45387000       0.28458546       1.06858875       0.24103331
Zn      -1.37313000       1.04662000      -8.43534000      -1.10156753       0.31158020       0.34389790
Zn       0.26716000       0.49217000     -11.15623000      -0.21749350      -0.78405419       0.41014966
Zn      -1.70229000       1.04704000     -13.72414000       0.76963474      -0.07511015      -0.38570070
Zn       1.29966000       2.17727000     -16.34682000      -0.03934043      -0.31284401       0.54739399
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.75952372 magmom=2.0153852 free_energy=-64.76282484 stress="-0.031664730811430904 0.01352171633186273 0.02699937549232275 0.01352171633186273 0.0018818373148489274 -0.017592055279102972 0.02699937549232275 -0.017592055279102972 0.024067300633026437" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.79461000       0.18379000      -5.48176000      -1.47361575       0.68672695       0.60109778
O       -1.62527000       2.16829000      -1.70139000      -2.91749796       1.96234355       1.66444300
O        0.09596000       1.76252000      -4.26013000       0.69602886       0.63616703      -1.19408510
O       -1.33696000       1.21636000      -6.08508000       0.49644323      -1.92161839       0.19345919
O       -3.04558000       0.05689000      -7.71850000       0.65157304       1.41168481      -0.92210947
O       -1.48815000       1.31230000     -10.49522000       0.23589470       0.24754993       0.50265277
O       -0.01725000       0.14603000     -13.13458000      -0.76752545      -0.72651057       0.99172746
O       -1.82505000       0.22966000     -15.61997000      -1.29222373       1.12321174       0.34782496
Zn      -0.37425000       1.22867000      -2.47645000       2.59905829      -1.79553722      -0.06724015
Zn      -1.33670000       1.09407000      -8.45361000      -0.38685488      -0.71132139       0.33585801
Zn       0.14583000       0.45953000     -11.15538000      -0.26771747      -0.64121599       0.13474532
Zn      -1.67165000       1.00020000     -13.67092000       0.73112743       0.48384344      -1.17171556
Zn       1.24029000       2.15920000     -16.30668000       1.69530969      -0.75532389      -1.41665820
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.04108756 magmom=2.0101329 free_energy=-65.04562499 stress="-0.0041812503209883315 -0.018524659469303876 0.007694433197910761 -0.018524659469303876 -0.018718020585661514 0.027142113201156507 0.007694433197910761 0.027142113201156507 0.019643503775685602" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.77641000       0.14369000      -5.47239000      -2.70830510      -0.58487049       1.91822189
O       -1.83501000       2.32197000      -1.66063000      -0.03905083      -1.01938639       0.25610129
O        0.18241000       1.96661000      -4.26013000       0.17346066      -0.04958248      -0.95053934
O       -1.36842000       1.06728000      -5.99076000       2.65306922       0.77361429      -1.08378513
O       -2.75645000       0.27211000      -7.84301000      -2.58587386      -1.47472414       0.29944295
O       -1.58107000       1.38943000     -10.48339000      -0.03516168      -0.98993231       0.55996010
O       -0.18072000       0.01058000     -12.99208000       1.13571251      -0.24546165      -0.80972964
O       -1.94821000       0.45563000     -15.66735000       0.24049747      -2.15164496       1.18019341
Zn      -0.28208000       1.21270000      -2.47759000       0.12953442       1.23080500       0.38933664
Zn      -1.31663000       1.12310000      -8.46341000       2.01266714       1.29076202      -0.34762926
Zn      -0.00021000       0.39180000     -11.14076000       0.33614671       0.71472711       1.02650023
Zn      -1.60332000       0.98009000     -13.68234000      -1.35233698      -0.03578415      -0.86577815
Zn       1.25126000       2.12113000     -16.33515000       0.03964032       2.54147815      -1.57229499
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.198132 magmom=2.0009128 free_energy=-65.20434223 stress="0.013757967064201466 0.007359815982155668 -0.015506821843146447 0.007359815982155668 0.008021530868165318 0.003557555918618982 -0.015506821843146447 0.003557555918618982 0.0012703552239975366" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.84458000       0.10776000      -5.40932000       0.92746146      -0.11689333      -0.35379577
O        1.10442000       2.35394000      -1.58389000       0.84983863      -0.00226967      -0.90706978
O        0.29710000       2.11630000      -4.46033000       0.37354149      -1.44034821       2.34666095
O       -1.14313000       0.98546000      -5.97579000      -1.92786567       1.43986831      -1.31137683
O       -2.87660000       0.26848000      -7.86128000       0.45299464      -0.30687841      -0.05824953
O       -1.67475000       1.29111000     -10.37517000      -0.23790035      -0.22321922      -0.48921248
O        1.46969000       2.66290000     -13.00157000       0.26065093       1.24201904       0.05925110
O       -2.03603000       0.36840000     -15.55657000       0.54261628      -0.00884837      -1.01265321
Zn      -0.17583000       1.23700000      -2.45482000      -0.47413572       0.45316921      -0.52717726
Zn      -1.22682000       1.19318000      -8.48406000      -0.43206720       0.01015573       0.97642954
Zn      -0.11908000       0.35491000     -11.08249000       0.47224752      -0.10800978       0.13147780
Zn      -1.59923000       0.95145000     -13.73329000      -0.46191698      -1.17171797       0.03132472
Zn       1.27050000       2.17792000     -16.41899000      -0.34546502       0.23297268       1.11439077
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.3229518 magmom=2.0005333 free_energy=-65.32773736 stress="0.014153756898959738 0.0010168712730226352 -0.005659649262309346 0.0010168712730226352 0.008649533078993734 -0.020686714953717544 -0.005659649262309346 -0.020686714953717544 0.020319511979736908" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.87339000       0.08000000      -5.40709000       0.70378290       1.49477406       0.25402603
O        1.09491000       2.38577000      -1.66113000       1.59961526       0.63263488       0.53516368
O        0.41505000       2.00701000      -4.29979000      -0.72978202      -0.28805902      -0.42608639
O       -1.19743000       1.13119000      -6.05596000      -0.62698398      -1.44135932       0.12701807
O       -2.96520000       0.17352000      -7.78915000       0.73020506       1.05109366      -0.14275539
O       -1.79339000       1.15314000     -10.35454000       0.21249578       0.56519424       0.07415389
O       -0.02322000      -0.03033000     -13.00694000      -0.20533007      -0.05644020       0.11178989
O       -1.98650000       0.25124000     -15.64179000       0.60294676       0.84420308      -0.30515194
Zn      -0.12053000       1.27739000      -2.46141000      -1.14013094      -0.36562213      -0.60172344
Zn      -1.15695000       1.25785000      -8.46862000      -0.85934297      -1.15738209       0.57105497
Zn      -0.19446000       0.31962000     -11.02456000       0.23690313      -0.81373339      -0.72248418
Zn      -1.62482000       0.87719000     -13.77188000      -0.14668237       0.01161774       0.28982156
Zn       1.26798000       2.25005000     -16.44553000      -0.37769654      -0.47692151       0.23517324
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.25080202 magmom=2.0084034 free_energy=-65.25223183 stress="-0.007965754033801465 -0.004036856496364624 0.020721649379344134 -0.004036856496364624 0.010688948601340122 -0.00027563713904369064 0.020721649379344134 -0.00027563713904369064 0.024249147176171305" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.86867000       0.12299000      -5.44954000      -1.33511733       0.31418029       1.02176670
O       -1.77155000       2.47845000      -1.68062000       0.16806172      -1.73584818      -0.00126795
O        0.40666000       1.81713000      -4.24238000      -0.60279221       0.54329793      -1.56247934
O       -1.40241000       1.09732000      -5.98746000       2.12157344      -0.41873392      -0.37811206
O       -2.85496000       0.26697000      -7.64189000       0.04839798      -0.05075969      -0.72425373
O       -1.87167000       1.12773000     -10.32591000       0.50492746       0.35098193       0.31801336
O        0.02063000       0.07991000     -13.00435000      -1.11322938      -0.85123111       0.18931521
O       -1.84282000       0.34321000     -15.81986000      -1.23589434       1.31077498       1.39452866
Zn      -0.12188000       1.32009000      -2.49335000      -0.13845681       1.63638774       0.76779015
Zn      -1.13687000       1.26862000      -8.42017000      -0.77603930      -0.44857914       0.74689753
Zn      -0.26252000       0.23358000     -11.00151000       0.13523683      -0.38722676      -0.63497802
Zn      -1.65615000       0.79095000     -13.79780000       0.73085468       0.61899872      -0.32051927
Zn       1.25789000       2.29879000     -16.45226000       1.49247725      -0.88224279      -0.81670124
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.6254874 magmom=1.9995579 free_energy=-64.62591326 stress="-0.03372967027381554 0.014551100008162099 0.00019274077900712807 0.014551100008162099 -0.011058483084813218 -0.007669532797117197 0.00019274077900712807 -0.007669532797117197 0.009969052039983432" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.91928000       0.19260000      -5.48273000       1.22051007      -3.34672845      -0.17109225
O       -1.37380000       2.32528000      -1.69606000      -3.18975327       2.18428783       1.06686524
O        0.24891000       1.72529000      -4.46019000       0.41356633       2.18318060       2.33717550
O       -1.26418000       0.95540000      -5.88009000      -1.12797232       1.55388890      -1.51532450
O       -2.74491000       0.38558000      -7.56172000      -0.99113434      -0.98993156      -0.65229799
O       -1.84751000       1.16412000     -10.22007000       0.14677931      -0.68935944      -0.21066528
O       -0.12711000       0.02245000     -12.97629000       0.55081228      -0.62769381      -0.32895720
O       -1.86119000       0.65662000     -15.76053000       0.08857265      -1.97625498       0.17850777
Zn      -0.11948000       1.43422000      -2.49744000       2.99923690      -1.80454596      -1.40301091
Zn      -1.15512000       1.24899000      -8.33125000       0.02695893       0.28478881       0.51602437
Zn      -0.33123000       0.11549000     -11.01229000       0.32049036       0.65671412       0.06860841
Zn      -1.66486000       0.72556000     -13.83506000      -0.66124733       0.61483742       0.84326954
Zn       1.30666000       2.32654000     -16.49877000       0.20318043       1.95681650      -0.72910268
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.78135466 magmom=2.0014845 free_energy=-65.78174083 stress="0.015495972583598944 0.0009953250342672833 -0.0070620832766554375 0.0009953250342672833 0.02023650678650572 -0.001490546753083666 -0.0070620832766554375 -0.001490546753083666 0.004523514203060327" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.91398000       0.12755000      -5.51602000       0.34516320       0.28229627       1.48152646
O       -1.51539000       2.49160000      -1.64545000      -0.19442592      -0.07376135      -2.01607336
O        0.18603000       1.92776000      -4.35032000       0.49696147       0.35382604      -1.17492391
O       -1.27933000       1.05920000      -6.01203000      -0.54228388      -0.02110730      -0.20249265
O       -2.82834000       0.29015000      -7.57687000      -0.16341718      -0.45152971      -0.22597925
O       -1.78824000       1.07324000     -10.14863000      -0.07925344      -0.23511788      -0.34463058
O        1.42417000       2.61827000     -13.01041000       0.43335957      -0.17675918       0.11655913
O       -1.88646000       0.63649000     -15.70170000       0.27170327      -0.31426203      -1.13781400
Zn      -0.00261000       1.47922000      -2.53221000       0.21446139       0.09276129       1.28090816
Zn      -1.17874000       1.24133000      -8.23654000      -0.49102729      -0.25983877      -0.69647211
Zn      -0.37478000       0.03647000     -11.02559000       0.51469997       0.13634218       0.12724615
Zn      -1.70002000       0.69936000     -13.82451000      -0.48699894       0.30860559       1.04951055
Zn       1.36601000       2.42825000     -16.56100000      -0.31894223       0.35854483       1.74263540
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35897049 magmom=1.9995026 free_energy=-65.35907926 stress="0.008469325974326439 -0.010760235673262921 0.0027868444477554075 -0.010760235673262921 -0.03891865358693418 -0.011486326052374263 0.0027868444477554075 -0.011486326052374263 0.0272041172203828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.88094000       0.07766000      -5.49820000      -1.76823367       1.91935255       0.77188623
O        1.45620000       2.65350000      -1.83024000       0.83065593      -0.95381410       1.08472638
O        0.23942000       2.19185000      -4.40602000       0.02350553      -0.68643865      -0.16998714
O       -1.44103000       1.13985000      -6.10122000       1.64105277      -1.28865614       0.72292211
O       -2.94384000       0.16103000      -7.56361000       0.28961974       1.08771921      -0.47070288
O       -1.76012000       0.94804000     -10.15600000      -0.49642192       0.30088196      -0.46686849
O        1.46764000       2.44215000     -13.01458000      -0.10583954       1.07249414      -0.03671657
O       -1.84104000       0.53629000     -15.81840000       0.47687889       0.83703745       0.65504308
Zn       0.12555000       1.51760000      -2.53017000      -0.73675954       1.06478704      -0.84242184
Zn      -1.22053000       1.21427000      -8.19991000      -0.68163478      -1.33548931      -1.16523906
Zn      -0.38363000      -0.02359000     -11.02837000       0.89745892      -0.41093424       0.51283208
Zn      -1.75451000       0.68676000     -13.77005000      -0.04814975      -0.90385172      -0.34789043
Zn       1.40262000       2.53696000     -16.55602000      -0.32213257      -0.70308820      -0.24758348
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.68960582 magmom=1.9992695 free_energy=-65.68961115 stress="-0.01155298892125739 -0.0032800605137877697 -0.00035071537226615365 -0.0032800605137877697 -0.012872851776916903 0.00836186525634765 -0.00035071537226615365 0.00836186525634765 0.03249789876724183" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.94235000       0.12986000      -5.47609000       0.55076564       0.68038855      -0.22893869
O        1.47919000       2.66128000      -1.82986000       1.49376715       0.31274723       0.64388273
O        0.27276000       2.26873000      -4.50871000      -0.20281879      -1.90083209       1.93342365
O       -1.29731000       1.06454000      -5.95708000      -0.75576757       1.25703753      -1.11098554
O       -2.96336000       0.21991000      -7.56883000       0.53466975      -0.56910468      -0.38658821
O       -1.83772000       0.89050000     -10.25055000      -0.11859002      -0.14660036       0.11724732
O        1.48168000       2.49326000     -13.02573000      -0.54190559       0.14280288       0.01497444
O       -1.73168000       0.62621000     -15.81018000      -0.60440063       0.66914393       0.47675158
Zn       0.18514000       1.58772000      -2.56082000      -1.32797772      -0.05879074      -0.72110053
Zn      -1.30042000       1.12966000      -8.23618000      -0.70634387       0.06566783      -0.38359428
Zn       1.25929000       2.69418000     -11.02504000       0.57619901       0.15848489       0.14178032
Zn      -1.80398000       0.63558000     -13.73529000       0.49543400       0.02366878      -0.45764656
Zn       1.42444000       2.59494000     -16.54911000       0.60696865      -0.63461374      -0.03920623
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.61281711 magmom=2.0479365 free_energy=-65.6168316 stress="-0.00036616971086936984 -0.005220050705660628 0.0027328742057250222 -0.005220050705660628 0.004451792478683509 0.016288564213956108 0.0027328742057250222 0.016288564213956108 0.005210908286647744" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.98814000       0.23051000      -5.47330000       1.47184552       0.24178042       1.10497057
O       -1.36242000       2.71040000      -1.70464000      -0.26799478      -0.21511087      -1.02711528
O        0.28356000       2.01552000      -4.36010000       0.13729762       0.83644554      -2.42951336
O       -1.27117000       1.20435000      -5.92491000      -1.53406539      -0.95981504      -1.15508634
O       -2.91967000       0.18648000      -7.60041000      -1.47865097      -0.72116207      -0.22391157
O       -1.94748000       0.79858000     -10.31987000       0.97258942      -0.04920320       0.74695403
O        1.37411000       2.60927000     -13.01399000       0.03225364      -0.70690770       0.48330422
O       -1.70524000       0.87925000     -15.68947000      -0.00402020      -0.81496511      -0.30822654
Zn       0.18005000       1.67071000      -2.61921000       0.05074479      -0.07172951       3.42813598
Zn      -1.42775000       1.02709000      -8.31646000       1.03923657       0.68791405      -0.14363037
Zn       1.34304000       2.61640000     -10.99397000      -0.49193885       0.24751484      -0.69403867
Zn      -1.83637000       0.57210000     -13.72464000       0.00305155       0.88117680      -0.41341913
Zn       1.47730000       2.63001000     -16.53769000       0.06965108       0.64406188       0.63157645
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26474645 magmom=2.0004714 free_energy=-65.26588168 stress="0.006038535124279353 0.007154789248064405 0.017910911885402045 0.007154789248064405 -0.003824758132433735 -0.002858761381571647 0.017910911885402045 -0.002858761381571647 0.004054571078909106" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.96530000       0.32112000      -5.46304000      -1.45598376      -2.76140553      -1.52012967
O       -1.08518000       2.75227000      -1.74239000      -2.17679392       1.05559765       0.97803094
O        0.29486000       1.90804000      -4.50091000      -0.65445108       2.27028738       2.16321236
O       -1.47260000       1.20195000      -6.05230000       1.89547268      -0.50835539      -0.36609136
O       -3.11309000       0.03879000      -7.63091000       0.04150089       0.65921437      -0.91971339
O       -1.86493000       0.69911000     -10.24620000       0.43013404       0.09519561      -0.95383759
O        1.28197000       2.57760000     -12.92263000       0.66633462      -0.51666779      -0.79510545
O       -1.69343000       0.96397000     -15.64586000       0.12272809      -0.99105986      -0.68026357
Zn       0.18399000       1.74747000      -2.54365000       1.68052432      -0.87420184      -0.39910631
Zn      -1.51178000       0.95705000      -8.39934000       0.13192834       0.10496259       1.78657879
Zn       1.40280000       2.55389000     -10.99657000      -0.32916081       0.01433314       0.28073573
Zn      -1.86814000       0.55590000     -13.73284000      -0.51242617       0.69019483       0.48629650
Zn      -0.06480000      -0.09463000     -16.47721000       0.16019276       0.76190483      -0.06060698
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.88382061 magmom=2.0015584 free_energy=-65.88529893 stress="0.0006589531305686121 0.01719142057899139 0.0052839463515407204 0.01719142057899139 0.003588789566239563 0.015581484204615852 0.0052839463515407204 0.015581484204615852 0.021442452675939087" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.00463000       0.28680000      -5.55316000      -0.41872289      -1.75649688       1.47981884
O       -2.82461000       0.13629000      -1.64007000      -0.43228803      -1.46433485      -0.27853455
O        0.18610000       2.14032000      -4.42486000       0.13196932      -0.31477918      -0.42680902
O       -1.40201000       1.05904000      -6.14194000      -0.36422631       1.56244554      -0.05728726
O       -0.07308000       0.00648000      -7.75826000       1.53167477      -0.17088223      -0.46905439
O       -1.68406000       0.63125000     -10.33068000      -0.76245411       0.26007309      -0.07959312
O        1.33035000       2.42939000     -12.98068000      -0.04480011       0.26167731      -0.31626840
O       -1.64392000       0.83953000     -15.73248000       0.42667419       0.45831425       0.56451530
Zn       0.25945000       1.79572000      -2.45278000       0.13156644       1.48943906      -0.30531991
Zn      -1.58611000       0.90222000      -8.40156000      -0.85584347       0.41149186       0.49005731
Zn       1.44352000       2.49400000     -10.99668000       0.68996281      -0.12451308      -0.45599621
Zn      -1.92266000       0.57971000     -13.72144000       0.37127969      -0.01272348      -0.11572960
Zn      -0.00294000       0.00423000     -16.43454000      -0.40479230      -0.59971142      -0.02979900
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.52488566 magmom=2.0456587 free_energy=-65.52936868 stress="-0.01564632710561145 -0.012329710846820517 0.0022960497439808857 -0.012329710846820517 -0.032918161771494 0.0016668483457626048 0.0022960497439808857 0.0016668483457626048 0.02921300401739079" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.07017000       0.15060000      -5.60820000       0.43632320       0.75520188       2.09602784
O       -3.09216000       0.08317000      -1.62472000       1.36995862       0.48518954      -0.33247785
O        0.08208000       2.33119000      -4.40399000       0.37296364      -0.89449279      -0.29093126
O       -1.38364000       1.14460000      -6.12686000      -1.02401158      -0.59280065      -0.69017887
O        0.01661000      -0.02368000      -7.89133000      -1.08790478      -0.18570349       0.37133658
O       -1.65606000       0.60640000     -10.45924000      -0.39135723      -0.21394441       0.68958638
O        1.37588000       2.36364000     -13.11120000      -0.44035219       1.12520778       0.82579065
O       -1.53536000       0.79937000     -15.72633000      -0.62313959       0.90809925       0.55743364
Zn       0.34820000       1.89996000      -2.38005000      -1.52662999      -0.34599865      -0.76785302
Zn      -1.68767000       0.86699000      -8.37907000       1.37929166       0.49006718      -0.83030895
Zn      -1.69973000       2.42454000     -11.02040000       0.29119647       0.39486779      -0.88377503
Zn      -1.95778000       0.59749000     -13.71376000       0.84374022      -0.86801312      -0.62278930
Zn       0.04438000       0.07248000     -16.39095000       0.39992156      -1.05768031      -0.12186080
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.73003013 magmom=2.0005069 free_energy=-65.73225482 stress="0.0041604006408929375 -0.01691558811816111 -0.00038501758295036537 -0.01691558811816111 -0.026081967348352914 0.006257947357260551 -0.00038501758295036537 0.006257947357260551 0.021567845368225213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.12119000       0.04016000      -5.55509000      -0.74430771       2.61495691       0.68391245
O       -3.00171000       0.13073000      -1.66354000       0.89982937       0.37560110       0.36940927
O        0.04626000       2.33398000      -4.48336000       0.43962977      -1.33821031       1.30117880
O       -1.55976000       1.13312000      -6.14019000       0.26003506      -2.07446947      -0.61805946
O        1.53120000       2.71321000      -7.88821000      -0.33169742       0.56631750       0.00564375
O       -1.71463000       0.55585000     -10.42669000       0.75064295       0.15079211       0.25000075
O        1.31440000       2.51208000     -13.07860000      -0.18095083      -0.38779896       0.17672837
O       -1.51838000       0.96685000     -15.62640000       0.12653335       0.15930218      -0.79044883
Zn       0.34007000       1.99133000      -2.35369000      -1.21383483      -0.20484238      -1.03243694
Zn      -1.72887000       0.85735000      -8.41128000       0.56118468      -0.16891658      -0.33607413
Zn      -1.60878000       2.37769000     -11.09484000      -0.88411661       0.14760977      -0.15202239
Zn      -1.94357000       0.57820000     -13.73353000       0.51023322       0.50242933       0.31624014
Zn       0.10532000       0.08294000     -16.34682000      -0.19318099      -0.34277120      -0.17407179
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.27128828 magmom=2.000522 free_energy=-65.27200869 stress="0.0104645729018492 0.01850751820058015 0.004046248007765213 0.01850751820058015 0.002887402612135283 0.020434845637462944 0.004046248007765213 0.020434845637462944 0.011826537382962667" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00865000       0.01674000      -5.47345000      -1.14330454      -0.44292859       0.01651478
O       -2.62843000       0.35213000      -1.58429000      -1.59997847       0.20409637       0.81740339
O        0.06488000       2.06624000      -4.38387000      -0.34495235      -0.86426892       0.23373598
O       -1.72040000       0.86178000      -6.13382000       1.24743048       1.32081427       0.32241360
O       -0.25845000      -0.05684000      -7.74676000       1.48422958      -0.47745390      -0.66731589
O       -1.64018000       0.51077000     -10.35681000       0.25434539       0.13312928      -1.14589185
O        1.22650000       2.62693000     -13.00468000       1.19925446      -0.75168465      -0.77065616
O       -1.49781000       1.17285000     -15.63308000       0.23507043      -1.88246229       0.64898322
Zn       0.24641000       2.06901000      -2.39068000       1.07232509      -0.31277398      -0.66512812
Zn      -1.74052000       0.85249000      -8.47554000      -0.97315487       0.37535820       1.25323753
Zn      -1.54329000       2.33418000     -11.18671000      -0.41111356       0.01941950       1.54612434
Zn      -1.90180000       0.58034000     -13.74768000      -0.84882224       1.06412677      -0.21772528
Zn      -3.04262000       0.07426000     -16.31378000      -0.17132942       1.61462795      -1.37169555
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.40081321 magmom=2.0064432 free_energy=-65.4029047 stress="0.008900547196150924 0.008915403854081754 0.0007352608225002007 0.008915403854081754 0.02269169965284267 0.0043518752299097335 0.0007352608225002007 0.0043518752299097335 0.012112611249008184" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15870000      -0.03198000      -5.44789000       1.14881000      -1.32111792       0.70668003
O       -2.55685000       0.55558000      -1.42587000      -0.20816640      -0.52752789      -1.43823190
O        0.03418000       1.65550000      -4.28847000      -0.45625520       0.72677308      -0.56656867
O       -1.70701000       0.81487000      -5.95480000      -0.64567575       0.74869043      -0.79687543
O        1.44548000       2.69933000      -7.69669000       0.03789940       0.05666918      -0.71367206
O       -1.51158000       0.50049000     -10.46150000      -0.31342656      -0.07463569       0.57864690
O        1.35751000       2.58064000     -13.08121000      -0.03874425      -0.34764450       0.07130548
O       -1.41237000       1.06148000     -15.57865000       0.49486895       0.16400354      -0.56873731
Zn       0.20025000       2.13690000      -2.44070000      -0.03245102       0.26999003       0.99619399
Zn      -1.79036000       0.85802000      -8.48573000       0.21795939      -0.28895497       0.77799902
Zn      -1.50661000       2.29659000     -11.20297000      -0.04795169       0.41236788       0.45742761
Zn      -1.89561000       0.63445000     -13.76385000       0.34609756       0.44654586       0.18733322
Zn      -2.99295000       0.13432000     -16.33333000      -0.50296442      -0.26515904       0.30849911
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.7853206 magmom=2.0048014 free_energy=-64.78741982 stress="-0.009630384153462242 0.012644727857709108 0.00371864376414698 0.012644727857709108 -0.009850732363151957 -0.016830664578375554 0.00371864376414698 -0.016830664578375554 0.01423012477776383" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34569000       2.65430000      -5.44449000       1.82485683      -0.07138892       0.45654682
O       -2.57794000       0.63109000      -1.53930000      -0.40053587      -0.79421685      -0.01794472
O       -0.08430000       1.42543000      -4.30671000      -0.32814829       1.85420968       1.06799015
O       -1.74069000       0.84963000      -5.85977000      -1.05377070      -1.37542200      -1.82010344
O        1.56186000       2.65820000      -7.70195000      -1.11216341      -0.09201624      -0.24630186
O       -1.45886000       0.47838000     -10.45954000      -0.43124371      -0.05066106       0.49806066
O       -1.72434000       2.46446000     -13.14318000      -0.47340484       0.92544892       0.72932336
O       -1.25973000       0.95342000     -15.62441000      -1.09401846       0.97135368      -0.12222293
Zn       0.16254000       2.21125000      -2.44098000       0.11019550       0.18094406      -0.13077911
Zn      -1.82568000       0.85181000      -8.45877000       1.01518852      -0.18049720       0.28165650
Zn      -1.47560000       2.28318000     -11.18684000       0.04608439       0.43108518       0.19280861
Zn      -1.87444000       0.70818000     -13.77387000       0.83504896      -0.84304192      -0.25983274
Zn      -2.96402000       0.18514000     -16.34871000       1.06191106      -0.95579732      -0.62920130
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.59958065 magmom=2.000835 free_energy=-65.6018839 stress="0.008809885587365576 0.0069504085663412525 -0.0027671144132575772 0.0069504085663412525 0.007974697099012868 -0.01850695163383076 -0.0027671144132575772 -0.01850695163383076 0.024200955778919828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31946000       2.51769000      -5.41091000      -0.10231408      -0.36897453       0.52033676
O       -2.76940000       0.55906000      -1.72318000      -1.68577683       0.03062652       1.60552947
O       -0.32595000       1.52142000      -4.21585000      -0.08994426       0.38348856      -1.40585933
O       -1.92143000       0.61608000      -6.02680000       0.59674637       0.49493164       0.47576104
O        1.43901000       2.59885000      -7.71847000      -0.42539035       0.40833358      -0.51178940
O       -1.50253000       0.44104000     -10.32282000       0.13699539       0.30627582      -0.69301331
O       -1.67752000       2.54050000     -13.05527000      -0.30672299       0.55833306      -0.49178504
O       -1.28402000       1.06329000     -15.74314000       0.09474284       0.36139144       0.58111536
Zn       0.13403000       2.31268000      -2.44217000       1.54527382      -0.46794626      -0.55885973
Zn      -1.80881000       0.82279000      -8.40550000       0.23410000      -0.85206668       0.66349651
Zn      -1.43370000       2.29438000     -11.14527000      -0.37029050      -0.01600951       1.01396390
Zn      -1.78907000       0.75730000     -13.79901000       0.66741204      -0.41319760      -0.04491361
Zn      -2.87338000       0.19050000     -16.40217000      -0.29483144      -0.42518605      -1.15398264
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.15399583 magmom=1.9993161 free_energy=-65.15607689 stress="-0.005620942312529343 5.177281887847156e-06 -0.025985005778708714 5.177281887847156e-06 0.011537774013185752 0.00997880614561518 -0.025985005778708714 0.00997880614561518 0.020012323132009093" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29222000       2.36156000      -5.39986000      -2.39625899       0.51253281      -1.30946065
O       -0.02823000       0.47351000      -1.67786000       1.67556488       0.73214867      -0.09061631
O       -0.59484000       1.70340000      -4.31495000       1.71309000      -1.41856202       1.84848026
O       -2.02271000       0.42686000      -6.04687000       1.08022826       1.71414766       0.17390571
O        1.22853000       2.56629000      -7.73811000       1.64238105      -0.79750195       0.06660598
O       -1.52534000       0.46610000     -10.28543000       0.47660975       0.43483023      -0.28570919
O       -0.06555000      -0.02907000     -13.00617000       0.37706336      -0.51263522      -0.17176053
O       -1.34707000       1.25107000     -15.76163000       0.30617630      -1.08805742       0.32402944
Zn       0.15869000       2.40328000      -2.46627000      -1.80475628      -1.05143236      -0.65487376
Zn      -1.78191000       0.75638000      -8.32562000      -1.47392698       0.11398013      -0.19870356
Zn      -1.40833000       2.30788000     -11.05700000      -0.86033337      -0.00723950      -0.21742118
Zn      -1.66223000       0.78746000     -13.82770000      -0.01942513       0.56313146       0.45287002
Zn      -2.77563000       0.17543000     -16.51393000      -0.71641285       0.80465751       0.06265376
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.40964921 magmom=2.0588395 free_energy=-65.41561653 stress="0.028248744840254258 -0.0002668438762928178 -0.023088406852129248 -0.0002668438762928178 -0.014616363231106762 -0.012583473868151455 -0.023088406852129248 -0.012583473868151455 0.03151463026266624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.20773000       2.28359000      -5.47393000       0.46903295       2.52007188       1.50092932
O       -0.06508000       0.53568000      -1.65909000       0.91009730       0.16731129      -0.77669530
O       -0.59861000       1.64957000      -4.20381000       0.43819996      -0.39998466      -0.57766886
O       -1.96095000       0.54536000      -5.91989000      -0.48195825      -1.58479198      -0.92806283
O        1.32744000       2.46234000      -7.66333000       0.11002536       0.72129119       0.17334690
O       -1.46516000       0.54482000     -10.30892000      -0.09614786      -0.41651434       0.43972443
O        0.00484000       0.01720000     -13.02431000       0.46470414      -0.61741300       0.33116588
O       -1.32102000       1.20654000     -15.73932000       0.36583244      -0.27746193      -0.33317473
Zn       0.10251000       2.41789000      -2.50906000      -0.88006303      -0.35920230       0.02914103
Zn      -1.81915000       0.70081000      -8.28779000      -0.15525875      -1.17274438      -0.48539195
Zn      -1.42805000       2.32185000     -11.00716000      -0.31513267       0.80454397      -0.83729616
Zn      -1.57916000       0.83206000     -13.82420000      -0.17782865       0.51113544       0.38856583
Zn      -2.74607000       0.19452000     -16.57986000      -0.65150295       0.10375884       1.07541645
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.51598786 magmom=2.0000007 free_energy=-65.5161365 stress="0.0211972909909534 0.003973447625781259 -0.01692562167488095 0.003973447625781259 0.0067658808144306195 -0.015511728006360883 -0.01692562167488095 -0.015511728006360883 0.03290238665677077" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.16098000       2.32086000      -5.49074000       1.63113118       0.97373937       2.08558489
O        0.15848000       0.64313000      -1.77542000      -0.51596982      -0.81300852       0.43576434
O       -0.52092000       1.51765000      -4.23425000       0.10294775      -0.04704542      -1.32632575
O       -1.97858000       0.50558000      -5.88265000      -0.75033484      -0.26059777      -0.68910893
O       -1.75536000       2.44369000      -7.50430000      -1.56147818      -0.61087675      -1.23027468
O       -1.42718000       0.55345000     -10.22925000      -0.42226493       0.00046862      -0.01257536
O       -3.04506000      -0.08176000     -12.97953000      -0.21687243       0.23117051      -0.02716864
O       -1.20746000       1.08428000     -15.78673000       0.14602574       0.33441789       0.14604022
Zn      -0.01048000       2.40852000      -2.55132000       0.77598560       0.48655822       0.06862195
Zn      -1.86902000       0.59848000      -8.28642000       0.75710846       0.05339580       0.40173565
Zn      -1.46647000       2.37508000     -11.00864000       0.18121115       0.25006180      -0.28168986
Zn      -1.50766000       0.90197000     -13.79698000       0.37626155      -0.28250108       0.02172382
Zn      -2.75880000       0.22210000     -16.58372000      -0.50375123      -0.31578267       0.40767236
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.90798526 magmom=1.9651926 free_energy=-64.91001863 stress="-0.01504333177572229 0.017969072882629347 0.01180250520105455 0.017969072882629347 0.002803989785943081 -0.018309835837794296 0.01180250520105455 -0.018309835837794296 0.022196611396215926" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.19746000       2.41956000      -5.40814000      -0.64364978      -2.24889067      -1.53296465
O        0.26030000       0.64747000      -1.83091000      -1.54603199       0.46602388       0.97518920
O       -0.42198000       1.37506000      -4.54719000      -0.33583649       1.31752770       2.76727587
O       -2.07245000       0.42956000      -5.92779000       1.57466282       1.52728174      -0.65473665
O        1.28619000       2.34597000      -7.50535000      -0.10463957      -0.15582272      -0.98982134
O       -1.47681000       0.55325000     -10.14633000      -0.14926465       0.33160798      -1.39780551
O       -1.27986000       2.66080000     -12.94975000      -0.27345856       1.09441863      -0.62096507
O       -1.07876000       1.02782000     -15.80447000      -1.53171424       0.86197747       0.70491738
Zn      -0.09103000       2.40544000      -2.60337000       1.65880450      -1.24917058      -1.02314788
Zn      -1.89248000       0.46586000      -8.26649000      -0.22435780       0.10736020       1.28656082
Zn      -1.50522000       2.45911000     -11.02656000       0.08153095      -0.18361740       1.12454111
Zn      -1.40059000       0.96714000     -13.76320000       0.36708265      -1.12285364      -0.33665671
Zn      -2.79499000       0.23344000     -16.55893000       1.12687217      -0.74584259      -0.30238657
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.39418226 magmom=2.0306806 free_energy=-65.39770388 stress="0.014830809681978354 0.020225192222452882 -0.010163155203119539 0.020225192222452882 0.0019463039152593285 0.004056119965572275 -0.010163155203119539 0.004056119965572275 0.025807458792747855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23525000       2.42555000      -5.43064000       0.26783048      -0.36774162      -0.35668390
O        0.06230000       0.67553000      -1.73858000       0.15470564      -1.29301380      -0.54305378
O       -0.36536000       1.46952000      -4.45535000      -0.08485117       0.73480247       0.69867765
O       -1.94827000       0.57541000      -5.98990000      -0.38757960      -0.84126901      -0.13569024
O        1.06930000       2.14968000      -7.64541000       2.13308939       0.34046235      -0.12870339
O       -1.57968000       0.63513000     -10.27584000       0.28809428       0.32873668       0.49062281
O       -2.77302000       0.04666000     -12.98154000      -0.80634193      -0.13938064       0.18150993
O       -1.21514000       1.14111000     -15.71334000       0.03208062       0.03947539      -0.52020771
Zn      -0.10095000       2.35074000      -2.70009000       0.03785088       0.73269024       1.43159787
Zn      -1.93882000       0.32250000      -8.20128000      -1.54965776       0.74053655      -1.14814950
Zn      -1.54720000       2.54939000     -11.00278000      -0.31244928      -0.32029094      -0.27620987
Zn      -1.24686000       0.98644000     -13.73955000       0.47674081       0.00851538       0.01707760
Zn      -2.79121000       0.20906000     -16.53066000      -0.24951235       0.03647695       0.28921253
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.17863803 magmom=2.0894334 free_energy=-65.18547486 stress="0.00960456590130266 0.002903219707248895 -0.014148737670807486 0.002903219707248895 -0.014629557962402645 0.01002269608826388 -0.014148737670807486 0.01002269608826388 0.019150152718293866" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.27963000       2.39118000      -5.51940000       0.66880654       0.49826931       1.58901849
O       -0.12129000       0.47248000      -1.75425000       0.35794285      -0.30587757      -0.23445356
O       -0.36144000       1.67052000      -4.36032000      -0.00017561      -1.08228378      -2.01533564
O       -1.86228000       0.57048000      -5.97200000      -0.96397783      -0.69878307      -0.81477671
O        1.23185000       2.10466000      -7.72013000      -0.69499072       0.68030307       0.07572091
O       -1.62198000       0.77406000     -10.33176000       0.23852149      -0.27802985       0.63019377
O       -2.79659000       0.19423000     -13.01494000       0.73651653      -1.02948511       0.62795995
O       -1.37031000       1.25779000     -15.70505000       0.46959281      -0.76377052       0.03511011
Zn      -0.09535000       2.33817000      -2.69232000       0.20631002       0.57000700       2.98903068
Zn      -2.04498000       0.21090000      -8.19760000       1.08096202       0.67485805      -1.27008804
Zn      -1.60125000       2.62056000     -10.98625000      -0.14532845       0.11865239      -0.52841698
Zn      -1.08707000       1.00266000     -13.71906000      -1.21357164       0.91055050      -0.54285867
Zn      -2.79446000       0.18723000     -16.49425000      -0.74060800       0.70558959      -0.54110431
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26942416 magmom=1.9979923 free_energy=-65.26960009 stress="-0.0119910368561034 -0.0038733808741393916 -0.0007870071274479055 -0.0038733808741393916 0.0008683553498023931 0.0176940516557062 -0.0007870071274479055 0.0176940516557062 0.03897478414010322" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33801000       2.36972000      -5.55187000      -1.36713289       0.09386527      -0.26542433
O       -0.15617000       0.24795000      -1.81749000       1.39105164       1.08316546       0.98381332
O       -0.34631000       1.61387000      -4.60800000       0.58490494      -0.96498055       2.45849677
O       -1.92465000       0.49756000      -6.03348000       0.54606887       0.65981737      -0.86501462
O        1.20087000       2.18599000      -7.65044000      -0.47267556      -0.24594552      -0.14165376
O       -1.60834000       0.84146000     -10.22894000      -0.16601436      -0.33926519      -0.06103326
O       -2.71133000       0.12094000     -12.93669000       0.10960464      -0.16671347      -0.38174839
O       -1.39285000       1.21105000     -15.72113000       0.74662121      -0.35483022      -0.09615963
Zn      -0.09266000       2.34904000      -2.54489000      -1.13244863      -1.46474775      -1.06550763
Zn      -2.07178000       0.16270000      -8.27969000       1.11555510       1.31972073      -0.59720110
Zn       1.56153000       2.69248000     -10.99642000       0.26186641       0.08092012       0.19392358
Zn      -1.00374000       1.05829000     -13.72254000      -0.66690909       0.10131697       0.15126333
Zn      -2.83798000       0.20117000     -16.48352000      -0.95049227       0.19767678      -0.31375427
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.91114419 magmom=1.9591938 free_energy=-64.91315881 stress="0.01159327532861226 0.029509904979384907 0.022194405322332363 0.029509904979384907 0.009458326543570046 -0.006087091705988275 0.022194405322332363 -0.006087091705988275 0.024007996178844256" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33211000       2.34647000      -5.60851000      -0.97507153       0.15109080       1.40772731
O       -0.00238000       0.25371000      -1.71513000      -1.41334141       0.97757347       0.59457924
O       -0.24975000       1.38995000      -4.47783000      -0.19805112       0.81812761       0.47781111
O       -1.92868000       0.51870000      -6.15229000       0.44096260      -0.99947554       0.85963337
O        1.05880000       2.19832000      -7.55689000       1.89633894       0.05407873      -2.29063285
O       -1.62326000       0.84028000     -10.12709000       0.02858667       0.38555899      -1.84008446
O       -2.57901000       0.01350000     -12.87972000      -0.43534955       1.16252575      -0.10269150
O       -1.26114000       1.07686000     -15.74606000      -0.56946639       0.49926890       0.59851840
Zn      -0.12061000       2.28189000      -2.43178000       1.56492495      -1.55561250      -1.67759360
Zn      -2.03254000       0.19673000      -8.40518000      -1.04095119       0.50137698       1.95887668
Zn      -0.07928000      -0.02667000     -10.99186000       0.33350259      -0.22435667       0.28707713
Zn      -0.96482000       1.11816000     -13.73028000      -0.18858518      -1.21433274      -0.27990909
Zn      -2.93065000       0.22793000     -16.48715000       0.55650063      -0.55582377       0.00668825
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.97038144 magmom=2.0006054 free_energy=-64.97053236 stress="0.009213004589113026 0.014800756597084406 0.0090015340523436 0.014800756597084406 0.02071189860667826 0.0025796640434912034 0.0090015340523436 0.0025796640434912034 0.02003155611144467" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.26435000       2.31575000      -5.62743000       1.45913262      -1.04183536       2.39831641
O       -0.05045000       0.44466000      -1.56870000       0.06038734      -1.82009598      -1.25828223
O       -0.17379000       1.28351000      -4.25985000      -0.12081137       0.65997815      -1.15311448
O       -1.86718000       0.39101000      -6.02355000      -1.30474483       0.75202554      -0.95650082
O        1.29606000       2.22451000      -7.77845000      -1.04323298      -0.39460169       0.45636291
O       -1.65256000       0.91064000     -10.31851000      -0.19594133       0.22352779       0.41075046
O       -2.53324000       0.12692000     -12.85584000      -0.56496779       0.08998381      -0.84698171
O       -1.25833000       1.05413000     -15.64945000      -1.21212059       0.77799322      -0.31771356
Zn      -0.08804000       2.12402000      -2.38037000      -0.01524728       1.28111431      -0.91954857
Zn      -2.03258000       0.27493000      -8.47073000       1.22895025       0.86515964       0.25588036
Zn      -0.10233000       0.04005000     -11.00762000       0.47088773      -0.40850747      -0.64636553
Zn      -0.93315000       1.12516000     -13.74682000      -0.05286555      -0.21373394       0.99036328
Zn       0.21336000       0.23053000     -16.47187000       1.29057377      -0.77100801       1.58683347
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33488701 magmom=2.0182226 free_energy=-65.33859768 stress="0.018265607761388702 -0.003341782778809102 -0.004641976529582874 -0.003341782778809102 -0.0059807158746427265 0.005365362943386173 -0.004641976529582874 0.005365362943386173 0.025118813055644857" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.24098000       2.23183000      -5.51319000       0.51292558      -0.27093521       1.68079875
O       -0.12414000       0.26552000      -1.61038000       0.39500553      -1.02814645       0.05909023
O       -0.11315000       1.32535000      -4.29256000      -0.64123740       0.32570955      -0.41786514
O       -1.96002000       0.33347000      -5.97070000       0.45469657       0.39700587      -1.38293771
O       -1.83408000       2.16693000      -7.91771000      -0.89965584       1.10788177       0.44857161
O       -1.70727000       1.03754000     -10.49869000       0.25317647      -0.47315331       0.91893059
O       -2.61168000       0.29018000     -12.99204000       0.24502904      -0.96519928       0.14243785
O       -1.52258000       1.20181000     -15.60181000       0.51156265      -0.43144296      -0.53787729
Zn      -0.04219000       2.00987000      -2.37973000      -0.31176392       0.69944289      -0.33441787
Zn      -1.97311000       0.40982000      -8.52033000       0.81913641      -0.59212439       0.15011505
Zn      -0.10345000       0.09474000     -11.06011000       0.12066592       0.09807339      -0.82787387
Zn      -0.90418000       1.11594000     -13.72052000      -1.06878490       0.74678593      -0.12600545
Zn      -3.01498000       0.17638000     -16.38606000      -0.39075611       0.38610220       0.22703324
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.19806014 magmom=1.9984724 free_energy=-65.20358022 stress="0.009259268901697358 -0.0063838698600488285 -0.000588680403742913 -0.0063838698600488285 -0.005240903456578512 0.005512094338007706 -0.000588680403742913 0.005512094338007706 0.017701920494781948" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.25439000       2.14331000      -5.36267000       1.18660509       1.41962114      -1.56229663
O        1.52255000       2.67860000      -1.66320000       0.83642735       1.15699108       0.44383438
O       -0.18264000       1.42059000      -4.40137000      -1.56285095      -0.84473513       1.78584082
O       -1.97167000       0.36095000      -6.06562000       0.51507495      -0.15063476       0.27500322
O        1.24002000       2.31258000      -7.87255000       0.50912333       0.55457221      -0.95454157
O       -1.70942000       1.07118000     -10.48750000       0.30263273      -0.21707464      -0.20583754
O       -2.62727000       0.24100000     -13.10183000       0.23047541      -0.58184978       0.66640262
O       -1.66963000       1.23572000     -15.66311000       1.27785488      -0.95041830       0.90569093
Zn      -0.02395000       1.94515000      -2.39991000      -0.81280299      -1.07458035      -0.20902495
Zn      -1.86905000       0.51185000      -8.56328000      -0.43258038      -0.30838840       1.31777756
Zn      -0.09603000       0.14451000     -11.14567000       0.09193050      -0.06912459      -0.05093179
Zn      -0.93453000       1.14470000     -13.69755000      -1.19748194       0.42849891      -0.96330844
Zn       0.17472000       0.16199000     -16.29028000      -0.94440797       0.63712262      -1.44860861
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.47690025 magmom=2.0155115 free_energy=-65.48346482 stress="0.01702471112478238 0.013322940288157274 -0.005905989693742509 0.013322940288157274 0.0052622783222177946 -0.01370848432991939 -0.005905989693742509 -0.01370848432991939 0.0003529227443836135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.91586000       2.11695000      -5.35652000      -0.37254319       2.08388278       0.69169130
O       -1.55331000       2.59324000      -1.62221000      -1.14800613       1.09614642       0.57962219
O       -0.42336000       1.40018000      -4.27028000       0.93199638      -0.57128195      -0.28120614
O       -1.88414000       0.41198000      -5.97826000      -0.47190304      -1.23870610      -0.64746959
O        1.27736000       2.52692000      -7.91833000       1.51946413      -0.93594740      -0.34460447
O       -1.65177000       1.04935000     -10.50074000      -0.10578122       0.19657346      -0.03842237
O       -2.59242000       0.11691000     -13.05813000      -0.56034645       1.28084639       0.18716072
O       -1.52805000       1.08166000     -15.59107000       0.33283446      -0.00939617      -0.66232879
Zn      -0.03395000       1.84095000      -2.41619000       1.00919915      -0.73154924       0.59192332
Zn      -1.81539000       0.58099000      -8.54586000      -1.30082696       0.97721454       0.38654178
Zn      -0.08369000       0.18133000     -11.21797000       0.28119791      -0.38702265       0.65599542
Zn      -1.02168000       1.18021000     -13.72356000       0.01929624      -1.36319692      -0.03264048
Zn       0.10634000       0.17224000     -16.27837000      -0.13458126      -0.39756316      -1.08626288
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26258393 magmom=2.0781993 free_energy=-65.27169994 stress="-0.004646296995822447 0.0009762926881425631 0.01182739763768247 0.0009762926881425631 0.007016682245922834 -0.009530895702606923 0.01182739763768247 -0.009530895702606923 -0.022065917865127297" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.87626000       2.18945000      -5.36518000      -0.61529309       0.62397865       1.70712061
O       -1.60673000       2.74070000      -1.52072000       0.05552842      -0.75665227      -1.07998263
O       -0.53606000       1.29491000      -4.21727000       1.19206930      -0.15903626      -0.08571682
O       -1.87868000       0.34746000      -5.85406000      -0.34223473      -0.09013433      -1.75537545
O       -1.65403000       2.53313000      -7.98596000      -1.66594904      -0.35689085       0.34132847
O       -1.60967000       1.06296000     -10.52639000      -0.22401940       0.20601970       0.29499167
O       -2.67777000       0.21384000     -13.02953000      -0.37585263      -0.18446705      -1.11259492
O       -1.36429000       0.95393000     -15.62536000      -2.48002195       1.42108214       0.26284635
Zn      -0.00103000       1.69842000      -2.38851000       0.00292882       0.72265499       0.80335906
Zn      -1.81120000       0.69945000      -8.50618000       1.61253280       0.38297861      -0.43698483
Zn      -0.05745000       0.19737000     -11.24543000       0.17204816      -0.39354975       1.50476259
Zn      -1.11347000       1.15597000     -13.74738000       0.18584377       0.09105208       0.38395929
Zn       0.04350000       0.15320000     -16.33225000       2.48241957      -1.50703566      -0.82771339
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.48664824 magmom=2.0329309 free_energy=-65.49301217 stress="0.0044479876859279165 -0.012217915800210383 -0.004392345056493287 -0.012217915800210383 -0.028033745085840164 0.008584296326289273 -0.004392345056493287 0.008584296326289273 -0.0058937202162424665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.85551000       2.30868000      -5.30220000      -1.25949775      -2.01637902       0.72755927
O        1.52132000       2.70805000      -1.63137000       0.22570588      -2.06039505       0.06815467
O       -0.44242000       1.18389000      -4.25673000       0.51563487       1.14965500       0.61924612
O       -1.93282000       0.26306000      -5.93342000       1.04082747       1.43777406      -0.82605916
O       -1.64583000       2.54280000      -7.93960000      -0.49519491       2.01528422      -0.05829765
O       -1.61215000       1.11656000     -10.50908000       0.03668642      -0.16804920      -0.19813450
O       -2.87291000       0.29910000     -13.19815000       0.40448638      -1.04788338       1.03019907
O       -1.61838000       1.05756000     -15.72503000       0.60292355      -0.50348423      -0.04845262
Zn       0.04561000       1.58705000      -2.30921000      -0.33024323       1.94199084      -0.97468597
Zn      -1.73642000       0.83699000      -8.48509000       0.38968722      -1.94913731      -0.16322618
Zn      -0.01429000       0.19268000     -11.19532000       0.19299127      -0.06271549       0.22409035
Zn      -1.21276000       1.12770000     -13.75255000      -0.91874431       0.85173340      -0.92019833
Zn       0.08208000       0.06111000     -16.42074000      -0.40526286       0.41160616       0.51980492
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4531236 magmom=2.0360499 free_energy=-65.4601451 stress="-0.021863808618371273 -0.01059532819267063 -0.01568500212383077 -0.01059532819267063 -0.012324040841477745 0.0035961189766475967 -0.01568500212383077 0.0035961189766475967 0.006650330551371881" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34384000       2.36845000      -5.23744000       0.04907901      -1.88716475      -0.47572219
O       -1.64971000       2.36031000      -1.77668000       1.60774479       1.55460889       1.19735784
O       -0.25598000       1.24754000      -4.25078000      -0.01135747       1.38784852       0.41199627
O       -1.86715000       0.35872000      -5.98327000       0.06817376       0.93304105       0.52537971
O       -0.16719000       0.05504000      -7.87549000       1.80591239      -1.25143165      -0.68230070
O       -1.60657000       1.13365000     -10.52317000       0.29200020      -0.28799072       0.19128088
O       -3.00656000       0.18739000     -13.20831000       0.12840177       0.13099601       0.70133817
O       -1.80192000       1.07960000     -15.82515000       1.27567496      -0.74028162       0.90400147
Zn       0.05645000       1.54667000      -2.26643000      -1.69449540      -1.25166318      -1.27207472
Zn      -1.63968000       0.90335000      -8.47317000      -1.71677019       1.13316975       0.14304385
Zn       0.03674000       0.18389000     -11.12646000      -0.22846248       0.14586550      -0.41578570
Zn      -1.35295000       1.13745000     -13.79498000      -0.54938906      -0.27004424      -0.60325381
Zn      -3.10229000      -0.02466000     -16.48819000      -1.02651227       0.40304645      -0.62526108
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.89772406 magmom=2.1455325 free_energy=-65.90858892 stress="-0.006492290890380218 0.002485241488551872 0.0086436231750062 0.002485241488551872 -0.0032594915580483295 -0.002844177477589617 0.0086436231750062 -0.002844177477589617 -0.019311645544141498" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33431000       2.35841000      -5.24042000       1.67729222       0.76425990       1.02912234
O       -1.45533000       2.35066000      -1.70227000      -1.77857454       0.92177501       0.22901046
O       -0.10924000       1.47396000      -4.23577000      -0.87074797      -0.34738814       0.37827738
O       -1.77175000       0.54086000      -5.80406000      -0.59587374      -0.22937487      -1.57721949
O       -0.00037000       0.11564000      -7.95605000      -0.31169530      -0.61030895      -0.06519941
O       -1.54695000       1.09432000     -10.50713000       0.06218412       0.08819123       0.36019617
O       -3.07772000       0.11163000     -13.08687000      -0.22838127       0.65734715      -0.39117852
O       -1.69366000       0.94300000     -15.78394000       0.84128830      -0.40479156      -0.42935059
Zn       0.02185000       1.46172000      -2.28457000       1.57572612      -0.64605135      -0.96914866
Zn      -1.62917000       0.99444000      -8.45699000       0.28354586       0.46272302       0.04927134
Zn       0.06928000       0.18147000     -11.08638000      -0.07516925      -0.17689654      -0.39085201
Zn      -1.50060000       1.13414000     -13.85396000       0.09125103      -0.70809409       0.70768463
Zn      -3.12681000      -0.06793000     -16.55471000      -0.67084557       0.22860919       1.06938636
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.67300538 magmom=2.1369514 free_energy=-65.68340513 stress="0.007062840521508626 0.0003684422318590857 0.012937273332355944 0.0003684422318590857 -0.030180734197616375 0.0008353561727368828 0.012937273332355944 0.0008353561727368828 -0.030572962876927783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39324000       2.39383000      -5.22311000       1.36862428       1.93652620       1.07333988
O       -1.56858000       2.46516000      -1.66580000       0.07528942      -1.78974542      -0.65372784
O       -0.10730000       1.64451000      -4.21771000      -0.69634591      -0.68147062       0.11250830
O       -1.72298000       0.65010000      -5.77972000      -0.50064266      -1.00601395      -1.88140110
O       -3.09088000       0.03561000      -8.00620000      -0.88966845       1.53653830       0.50701649
O       -1.48849000       1.07226000     -10.44249000      -0.31796550       0.19731295      -0.23078539
O        0.02801000       0.17900000     -13.07027000      -0.14607057      -0.18524699      -0.48048220
O       -1.43459000       0.75248000     -15.82379000      -1.53463082       0.86621073       0.53043678
Zn       0.05339000       1.36988000      -2.33918000      -0.02206748       1.78038955      -0.20892581
Zn      -1.61981000       1.09326000      -8.44608000       0.78550362      -1.66800716      -0.05189854
Zn       0.09481000       0.17061000     -11.06949000       0.23545282      -0.24472610      -0.36048220
Zn      -1.62599000       1.09611000     -13.86824000       0.31167331      -0.04576572       0.47827213
Zn       0.03507000      -0.08808000     -16.54165000       1.33084794      -0.69600176       1.16612951
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-66.0286659 magmom=2.0597927 free_energy=-66.0364254 stress="-0.014214768181193523 9.40861188729187e-05 -0.009726652328891604 9.40861188729187e-05 0.016856052746865798 0.011826629644950567 -0.009726652328891604 0.011826629644950567 -0.0019018099755310075" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.69367000       2.52072000      -5.18671000      -1.18423551       0.60643193      -1.33909049
O       -1.67748000       2.27164000      -1.79356000       1.54681409       1.05176018       1.25817175
O       -0.20708000       1.71121000      -4.25930000       1.16147544      -0.92608215       0.16021809
O       -1.72239000       0.65840000      -5.96274000       0.04657740       0.44352734       0.44919385
O        0.00277000       0.23088000      -7.92902000       0.67411144      -0.63179816      -0.47791057
O       -1.49171000       1.08740000     -10.44668000      -0.02179585      -0.05799098      -0.31764161
O       -0.12457000       0.20221000     -13.17688000       0.20271711      -0.66914764       0.68432881
O       -1.50647000       0.73874000     -15.80993000      -0.68554655       0.27133387      -0.05687422
Zn       0.08691000       1.35039000      -2.39687000      -1.51047311      -0.56989906       0.21547979
Zn      -1.55592000       1.12214000      -8.43593000      -0.60065117       0.38328993       0.50127821
Zn       0.13244000       0.14558000     -11.07095000      -0.22668052       0.12655501      -0.62777226
Zn      -1.74326000       1.05187000     -13.84380000       0.15048502       0.42974386       0.16918561
Zn      -1.56314000       2.62323000     -16.47872000       0.44720221      -0.45772412      -0.61856696
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.62324452 magmom=2.0875298 free_energy=-65.63245047 stress="-0.021380425188638478 -0.013478737649546409 -0.002056750202954903 -0.013478737649546409 -0.012503862707718772 0.004442257980550355 -0.002056750202954903 0.004442257980550355 -0.0029572964294249673" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58921000       2.71064000      -5.25907000      -1.89517886      -1.49802242      -0.70392500
O       -1.52061000       2.19142000      -1.73852000      -0.46580627       0.89706355       0.36587240
O       -0.14916000       1.64940000      -4.35332000       0.82524330       0.74678563       1.10630109
O       -1.71895000       0.75933000      -5.93722000       1.28480041       0.80366845      -0.58802848
O        0.02886000       0.33530000      -7.90362000       0.84253560      -1.21379036      -0.41583632
O       -1.50555000       1.08998000     -10.52559000       0.29699440      -0.26364289       0.45304228
O       -0.25790000       0.08581000     -13.17619000       0.24896099       0.05107408       0.64447962
O       -1.80815000       0.82194000     -15.76398000       1.17435310      -0.61300803       0.51870378
Zn       0.05897000       1.31712000      -2.43579000       0.30326117      -0.31309202       0.59816321
Zn      -1.52446000       1.16331000      -8.40920000      -0.88701086       0.85526650      -0.18586736
Zn      -3.05314000       0.11577000     -11.10963000      -0.62551897       0.32879740      -0.51091702
Zn      -1.86880000       1.02132000     -13.79804000       0.07531970      -0.14732990       0.20422404
Zn      -1.50446000       2.50920000     -16.41399000      -1.17795371       0.36623001      -1.48621224
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4122823 magmom=2.092752 free_energy=-65.41921214 stress="0.0005202619731049318 -0.018627079307335252 0.000936084280927238 -0.018627079307335252 -0.03770595386658135 -0.012590538688504623 0.000936084280927238 -0.012590538688504623 -0.007307475223395795" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05508000       0.07136000      -5.39631000       0.13294066      -1.22268638       1.48834463
O       -1.40190000       2.32017000      -1.62570000      -0.71016796      -0.19674411      -0.39687025
O        0.05187000       1.69971000      -4.31177000       0.04791879       1.22422897       0.13815011
O       -1.55015000       0.94914000      -5.85466000       0.08072531       0.12689282      -2.11139125
O       -3.00982000       0.18262000      -7.91941000      -0.91355242       1.37116416       0.65086643
O       -1.46804000       1.04302000     -10.51788000      -0.08221627       0.06461611       0.59217831
O       -0.33752000      -0.01879000     -13.04620000      -0.08550768       0.60764149      -0.27178100
O       -1.87202000       0.77363000     -15.64776000       0.83873932      -0.54307967       0.18269070
Zn       0.03254000       1.26148000      -2.43361000       0.54085980       0.47983554       0.48951948
Zn      -1.53754000       1.24146000      -8.40027000       0.72546871      -1.72022688      -0.84791859
Zn      -3.05418000       0.10892000     -11.16907000      -0.13336115       0.00073917       0.61450894
Zn      -1.98906000       0.98235000     -13.73763000       0.29888188      -0.62042350       0.17022113
Zn      -1.50439000       2.41380000     -16.41629000      -0.74072899       0.42804228      -0.69851865
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.65438424 magmom=2.0004995 free_energy=-65.65610387 stress="0.01840556933434439 0.006239696934916104 -0.002548691172363411 0.006239696934916104 0.009592364075520032 0.0007813422775916717 -0.002548691172363411 0.0007813422775916717 0.01568069717398288" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09194000       0.15609000      -5.48876000       1.84149636       0.26411405       1.21194319
O       -1.44930000       2.37696000      -1.62216000      -0.26002545      -1.33837453      -0.23672551
O        0.24984000       1.94971000      -4.29972000      -0.44900894      -0.04321776      -0.43415026
O       -1.37264000       1.11712000      -6.06331000      -1.59765872      -0.24241125      -0.29061118
O        0.16535000       0.27236000      -7.74997000      -0.33088699      -0.02047373      -0.25987255
O       -1.45137000       1.01088000     -10.39111000      -0.33372922       0.20897920      -0.39938123
O       -0.43148000      -0.00647000     -12.98969000      -0.17810703      -0.23246132      -0.38120259
O       -1.73175000       0.61017000     -15.54982000       0.36598751      -0.24912017      -1.00878733
Zn       0.03846000       1.24195000      -2.40367000       0.29540696       1.76731862      -0.78847360
Zn      -1.51045000       1.23963000      -8.44071000       0.39167212      -0.38891050       0.42600447
Zn      -3.06290000       0.10360000     -11.18779000       0.19225000      -0.12170665       1.59805941
Zn      -2.08484000       0.91762000     -13.66880000       0.45459918       0.12331856      -0.43169378
Zn      -1.54792000       2.34638000     -16.44471000      -0.39199578       0.27294547       0.99489097
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.40641024 magmom=1.991814 free_energy=-65.40737808 stress="0.009127484136360706 0.009768070758756638 0.006971613631724766 0.009768070758756638 0.03330157818890076 -0.0024512189661331004 0.006971613631724766 -0.0024512189661331004 0.03910948838381652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.00896000       0.25165000      -5.55043000      -0.11547363       0.72666495       0.35459046
O       -1.56161000       2.19404000      -1.69451000       0.21909745       0.52978927       0.11459081
O        0.35770000       2.19372000      -4.40839000      -0.93245039      -0.44534205       0.11305805
O       -1.43407000       1.22693000      -6.18187000       0.27686439      -0.26214217       1.33440984
O        0.08217000       0.38476000      -7.58708000       0.94664707      -0.92850184      -2.31024021
O       -1.50310000       1.02354000     -10.36734000       0.03690805       0.09432052      -0.82064592
O       -0.54200000      -0.03750000     -13.00161000       0.53401789      -0.41504239       0.52278546
O       -1.52881000       0.40076000     -15.64664000      -1.10897196       0.57990856       0.31175701
Zn       0.06236000       1.30476000      -2.40555000      -0.01531926       0.03268614      -0.68427007
Zn      -1.46635000       1.20358000      -8.45971000      -0.44408646       0.39833336       1.94163803
Zn      -3.06507000       0.09208000     -11.12433000      -0.41132053      -0.07521410       0.61551644
Zn      -2.15344000       0.85804000     -13.62900000       0.40933987       0.14290200      -1.50888271
Zn      -1.61009000       2.29521000     -16.42611000       0.60474751      -0.37836224       0.01569282
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.3548725 magmom=2.0002534 free_energy=-65.35496725 stress="-0.01376334379351343 -0.010201833335851907 0.006156078644484987 -0.010201833335851907 -0.001438176546883738 0.009264798148526324 0.006156078644484987 0.009264798148526324 0.04368860917783778" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.90874000       0.38788000      -5.61199000      -1.90612406      -0.24931103       1.83558415
O       -1.59054000       2.11125000      -1.75463000       0.90857455       1.20182481       0.49149647
O        0.27315000       2.35498000      -4.53228000      -0.36652470      -0.68471272       0.81520825
O       -1.41329000       1.32467000      -5.99255000       1.87849500       0.28143294      -2.05566739
O        0.18617000       0.29791000      -7.77616000      -0.00572613      -0.07157377       0.20832942
O       -1.54335000       1.05251000     -10.46618000       0.36099612      -0.35430915       1.03149025
O        1.04816000       2.63386000     -12.94792000       0.22162580       0.16215783      -0.65207985
O       -1.57928000       0.32129000     -15.70166000      -0.98921481       0.60625296       0.38905988
Zn       0.07666000       1.37634000      -2.44674000      -0.84006185      -0.67942617      -0.71859468
Zn      -1.44117000       1.18770000      -8.39254000       0.16582246       0.22662505      -0.30383900
Zn      -3.09042000       0.07751000     -11.02539000      -0.56941119       0.33954353      -0.30721026
Zn      -2.19696000       0.80226000     -13.66743000       0.57207963      -0.34375950      -0.26472308
Zn      -1.63818000       2.22074000     -16.39889000       0.56946918      -0.43474479      -0.46905416
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.19227493 magmom=2.0322479 free_energy=-65.19711398 stress="-0.003980973144406028 -0.008008445662871578 -0.007614160843208829 -0.008008445662871578 -0.019360534898150976 0.005564975093412623 -0.007614160843208829 0.005564975093412623 0.023899160893310675" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.87764000       0.52975000      -5.58374000       0.68230589      -0.44426545       1.60895786
O       -1.46723000       2.29562000      -1.73643000      -0.84458471       0.47911227      -0.14294062
O        0.12156000       2.39715000      -4.51400000       1.47324103      -0.20154227       1.25919952
O       -1.15977000       1.46289000      -6.07666000      -2.26685784      -0.46488942      -1.75079179
O       -2.92026000       0.18988000      -7.95461000      -0.91156941       1.20510123       0.67249346
O       -1.51981000       1.01626000     -10.36828000      -0.26365137      -0.00397916       0.26168563
O        1.09804000       2.53164000     -12.97469000      -0.08854957       0.34535074      -0.04633153
O       -1.86033000       0.37825000     -15.66355000       0.86562535      -0.16321500       0.04827335
Zn       0.05813000       1.42070000      -2.52885000       0.61009162      -0.06979109       0.09431919
Zn      -1.40192000       1.17710000      -8.33281000       0.88310548      -0.66519620      -0.80866314
Zn       0.06550000       0.08409000     -10.93100000       0.06667815      -0.10573203      -0.88652393
Zn      -2.21210000       0.72109000     -13.73226000       0.61247877      -0.27496672       0.61018579
Zn      -1.63961000       2.11154000     -16.39775000      -0.81831339       0.36401311      -0.91986379
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.04795 magmom=2.0332466 free_energy=-65.05478425 stress="-0.0007697128793355066 0.0027067421180035733 0.0034173176221146866 0.0027067421180035733 0.010067260688117015 0.015471546456359328 0.0034173176221146866 0.015471546456359328 0.011854298236181079" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.38711000       0.65474000      -5.48628000      -0.32141345      -0.86168148       0.33783930
O       -1.48652000       2.58005000      -1.74818000      -0.27452776      -1.17868879       0.38903828
O        0.21832000       2.39071000      -4.34100000       0.42639220       0.19286296      -1.14767476
O       -1.23144000       1.49906000      -6.31399000      -0.34710968      -0.11979399       2.21517735
O       -2.98267000       0.31174000      -7.91150000       1.19340902      -0.58183721      -0.42639073
O       -1.55110000       0.97260000     -10.21674000      -0.48984863       0.32900298      -1.13930485
O        1.12623000       2.49447000     -13.02011000      -0.35652080      -0.03966775       0.85352558
O       -1.99361000       0.39261000     -15.64260000       0.66123356      -0.69823418      -0.44326924
Zn       0.06316000       1.46696000      -2.60428000       0.05076946       1.11793764       0.77269214
Zn      -1.31844000       1.14400000      -8.32250000      -1.13602379       0.99645554       0.07057114
Zn       0.00412000       0.07815000     -10.88536000       0.28687068      -0.50801996      -1.06454788
Zn      -2.19053000       0.62166000     -13.76224000       0.71023847       0.24605410       0.97493087
Zn      -1.67991000       2.01988000     -16.44651000      -0.40346928       1.10561013      -1.39258720
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.08632125 magmom=2.0275851 free_energy=-65.09312046 stress="-0.013304400983804445 -0.019879728418516193 0.01664016777793691 -0.019879728418516193 0.019217876899630268 0.016781284123703524 0.01664016777793691 0.016781284123703524 0.016117068839205974" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.41991000       0.72415000      -5.41125000      -3.01736458      -3.12686993       0.78498800
O       -1.58944000       2.64963000      -1.74406000       0.08639617      -0.72752109      -0.58849345
O        0.41667000       2.39764000      -4.40096000      -0.92330802       0.77549592       0.80580906
O       -1.38725000       1.49061000      -5.99218000       3.82942014       1.65076918      -1.54149740
O       -2.85931000       0.37063000      -7.76623000      -0.58339695      -0.75196498      -0.02161605
O       -1.69129000       0.99479000     -10.28280000       0.38855087      -0.15492902       0.08495692
O        1.08947000       2.45350000     -12.91418000       0.26193387      -0.12512548      -0.27909801
O       -1.96096000       0.26163000     -15.72655000       0.62984224      -0.01196295       0.13469879
Zn       0.07506000       1.57879000      -2.63090000      -0.14221433       0.77071882       1.11133546
Zn      -1.27014000       1.15961000      -8.33159000       0.18648011       0.93158557       0.07197530
Zn      -0.05123000       0.04430000     -10.90058000      -0.35215377       0.06673718      -0.96881547
Zn      -2.12550000       0.52122000     -13.73582000       0.14662432       0.20120295       0.26151630
Zn      -1.75598000       1.97711000     -16.57150000      -0.51081008       0.50186383       0.14424054
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.8494605 magmom=2.0001298 free_energy=-64.85189998 stress="-0.005855135375347003 0.004120764055777689 -0.016176504496151493 0.004120764055777689 0.013943840891177733 0.014349691021280944 -0.016176504496151493 0.014349691021280944 0.029743816007129695" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.36318000       0.67014000      -5.35704000       2.37416845      -0.76800738       0.18275871
O       -1.65043000       2.56867000      -1.85977000       1.33241985       0.65755079       0.20763577
O        0.43214000       2.49591000      -4.40112000      -0.28193202       0.22624932       1.09235427
O       -1.11011000       1.60583000      -5.70955000      -2.25551710      -0.66904893      -2.19499072
O       -2.77728000       0.30630000      -7.52939000      -0.69681531       0.76480645      -0.77496076
O       -1.76199000       0.98412000     -10.33617000       0.49948305      -0.39007603       1.00621018
O        1.10178000       2.38108000     -12.87907000       0.58866520      -0.26292138      -1.01190721
O       -1.80859000       0.11586000     -15.82158000      -0.36434763       0.45420856       0.17849502
Zn       0.07335000       1.72778000      -2.59747000      -1.24647521      -0.65870631       0.20628717
Zn      -1.22800000       1.22647000      -8.34643000       0.12622528      -0.02937385       0.71396907
Zn      -0.12175000       0.01357000     -10.96590000      -0.19797360       0.38136027      -0.26098540
Zn      -2.05036000       0.43182000     -13.69024000      -0.21390239       0.22778151      -0.58943284
Zn      -1.85566000       1.96364000     -16.68450000       0.33600142       0.06617697       1.24456673
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.09060736 magmom=1.9999809 free_energy=-65.09084156 stress="0.00522303985800365 0.020015690388733454 0.002633850110665652 0.020015690388733454 0.02098465390988684 0.013093484281105796 0.002633850110665652 0.013093484281105796 0.03716446682405616" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.81988000       0.57064000      -5.32536000       0.99384428       0.74894324       0.11448060
O       -1.50023000       2.61772000      -1.91785000      -1.14104808       0.81244217       1.37210054
O        0.37578000       2.63247000      -4.25976000       0.02210519      -0.29024169      -0.67468235
O       -1.11698000       1.57624000      -5.79828000      -1.24486229      -1.11347912      -0.86872476
O       -2.85020000       0.37444000      -7.46867000       0.16098511       0.50197683      -1.28103194
O       -1.72537000       0.91067000     -10.21392000      -0.12775678       0.19555237      -0.71636490
O        1.22648000       2.27498000     -13.02332000       0.06516084       0.01651863       0.48670908
O       -1.76647000       0.10163000     -15.85626000      -0.87771463       0.63251100       0.42749067
Zn       0.02583000       1.81530000      -2.54962000       0.93762810      -1.24134247       0.08292927
Zn      -1.18621000       1.28383000      -8.32824000      -0.36069583       0.03279742       1.48636178
Zn      -0.18746000       0.00289000     -11.03318000       0.26752308      -0.36518595       0.36378781
Zn      -1.99767000       0.37140000     -13.68582000       0.30834688       0.11197436      -1.52172016
Zn      -1.91623000       1.95561000     -16.71481000       0.99648414      -0.04246680       0.72866436
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.11803384 magmom=2.008873 free_energy=-65.12042064 stress="-0.004591025143237442 0.003409345336266687 0.009340308244248224 0.003409345336266687 0.021586235956140103 0.02608934505555856 0.009340308244248224 0.02608934505555856 0.02761057969870484" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.73889000       0.49112000      -5.32358000      -2.90015190      -0.14897975      -0.51161082
O       -3.11575000       0.05507000      -1.70200000      -0.39670824      -0.40963045      -0.37653633
O        0.33596000       2.69667000      -4.24970000       0.31261274      -1.32005383       0.46215471
O       -1.35084000       1.41922000      -5.99159000       2.46183609       1.45764182       0.05554512
O        0.34740000       0.53641000      -7.61293000       0.96914578      -1.11634046      -0.18324896
O       -1.70492000       0.87657000     -10.20341000      -0.24754856       0.42128900      -0.57857455
O       -1.84986000       2.16596000     -13.07978000      -0.54173368       0.39398070       0.70897103
O       -1.90610000       0.21710000     -15.81479000       0.15844248      -0.32190137       0.00388479
Zn       0.00835000       1.83872000      -2.49209000       0.22726165       0.31592252       0.07394471
Zn      -1.17347000       1.34842000      -8.24773000      -1.36073735       0.66698002      -0.47791370
Zn      -0.23894000      -0.02712000     -11.08442000       0.54741815      -0.55624630       0.47500195
Zn      -1.92654000       0.31700000     -13.76677000       0.62007097      -0.03013806      -0.98469029
Zn      -1.92566000       1.94978000     -16.68896000       0.15009187       0.64747617       1.33307235
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.16843552 magmom=2.0137566 free_energy=-65.17322652 stress="0.030268097811704135 -0.011669107186612617 -0.0028670471284909667 -0.011669107186612617 -0.005375134887251003 0.015656561239468562 -0.0028670471284909667 0.015656561239468562 0.013702068208334202" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.77578000       0.40561000      -5.40570000      -0.88927518       1.94514258       1.17335846
O       -0.05988000       0.23226000      -1.53769000       0.04266851      -1.29194952      -0.63430056
O        0.29974000       2.52077000      -4.25174000       0.30527897      -0.61907092      -0.37445995
O       -1.23863000       1.46158000      -6.02272000       0.52378894      -1.43741251       0.00407579
O       -2.74454000       0.48521000      -7.74481000      -1.11145042       0.20923707       0.13911838
O       -1.73895000       0.92403000     -10.33031000      -0.02545440      -0.30925878       0.29451939
O       -1.80613000       2.13975000     -13.01624000      -0.14876958       0.24426090      -1.04910127
O       -2.04431000       0.27970000     -15.78035000       0.59487647      -0.59765976      -0.32861557
Zn       0.01250000       1.87653000      -2.42086000      -0.16481476       1.24077145      -0.25339685
Zn      -1.21735000       1.45315000      -8.18773000       0.60568631      -0.63123197      -1.38787616
Zn       1.33644000       2.69879000     -11.13096000       0.40368973       0.35592034       0.46016190
Zn      -1.81277000       0.25552000     -13.90538000       0.11818761       0.05975889       1.63038214
Zn      -1.92259000       1.98086000     -16.58174000      -0.25441220       0.83149223       0.32613431
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.86437719 magmom=2.0398164 free_energy=-64.86886755 stress="-0.012777429594358989 0.0007853485212958115 -0.02963879725463037 0.0007853485212958115 -0.010016530931519134 -0.0012330891952558444 -0.02963879725463037 -0.0012330891952558444 0.014659240239239422" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.85823000       0.38837000      -5.46648000       2.58502878      -0.20490284       2.13052313
O       -0.20344000       0.15298000      -1.55305000       1.23209087       0.24067941      -0.29396918
O        0.29923000       2.22656000      -4.35191000       0.56854050       0.15756848       0.32466682
O       -1.03520000       1.36038000      -5.94443000      -3.69939831       0.25861398      -1.65390864
O       -2.80799000       0.50622000      -7.71386000      -0.23031692       0.66277005       0.30488832
O       -1.78316000       0.89641000     -10.40499000       0.06856632      -0.68809589       0.45120073
O       -1.79313000       2.17206000     -13.15403000       0.62770991      -0.20216907      -0.13063087
O       -2.03929000       0.23354000     -15.83366000       1.04403296       0.32395015      -0.03913490
Zn       0.00321000       1.97684000      -2.34992000      -1.22154387      -0.34695698      -0.60249496
Zn      -1.24616000       1.52075000      -8.21848000       0.13351783      -1.44626589      -1.24454965
Zn       1.33347000       2.65152000     -11.13741000       0.33820904       0.67700665      -0.22611480
Zn      -1.68427000       0.19466000     -13.96554000      -0.68836521       0.52510349       1.71726539
Zn      -1.93704000       2.05594000     -16.44041000      -0.75807191       0.04269846      -0.73774139
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.87735132 magmom=1.9995522 free_energy=-64.87744226 stress="-0.05276757194084255 0.008582995895379877 0.008058792240741203 0.008582995895379877 0.02817693392471203 -0.012938326150115299 0.008058792240741203 -0.012938326150115299 0.03182591566249374" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.84414000       0.38370000      -5.44198000      -1.63719877      -1.69973851      -0.02211048
O       -0.08333000       0.09767000      -1.64528000       0.21458895       0.36224652       0.26691019
O        0.38921000       1.99633000      -4.42801000      -0.69383448       1.49691514       1.40178513
O       -1.35091000       1.22156000      -6.02081000       2.10073981       0.98678924       0.04881966
O        0.29673000       0.64995000      -7.57369000       0.18592676      -1.21836443      -1.61637296
O       -1.81054000       0.74455000     -10.38002000       0.06168178       0.43195073      -0.22482066
O       -1.63901000       2.15094000     -13.32220000       0.27002002      -0.53186392       1.16356701
O       -1.86988000       0.25069000     -15.90031000      -1.34993035       0.88796332       0.81253832
Zn      -0.06947000       2.06150000      -2.30907000      -0.20126389      -0.70333762      -0.82475037
Zn      -1.26978000       1.51367000      -8.32174000      -0.54367946       0.00984210       0.35744276
Zn       1.35026000       2.63661000     -11.15089000       0.39541179      -0.39566203      -0.04161260
Zn      -1.59797000       0.16680000     -13.93007000      -0.59272752       0.91894203       0.43668510
Zn       1.24149000       2.14094000     -16.33894000       1.79026536      -0.54568258      -1.75808110
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33747806 magmom=2.0004821 free_energy=-65.33798242 stress="-0.0007189883219147271 0.0024825523842770584 0.014867492198273376 0.0024825523842770584 0.017890564971349755 -0.011920660913441287 0.014867492198273376 -0.011920660913441287 0.04088178067864614" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.88793000       0.31082000      -5.42572000      -1.15715329      -0.02516465       0.80723305
O        0.02181000       0.18104000      -1.64730000      -1.79556700       0.44786400       0.92687424
O        0.34316000       2.01026000      -4.28915000      -0.42496232       0.59727733      -0.49998661
O       -1.39140000       1.25936000      -6.02208000       1.32614914      -0.12197272      -0.02185564
O        0.22896000       0.52695000      -7.70456000       0.27895493      -0.23443632      -0.69120384
O       -1.81090000       0.68412000     -10.37600000       0.37658537       0.47766813      -0.32571227
O       -1.46035000       2.02744000     -13.22374000      -0.98197646       0.54406185       0.86179782
O       -1.90890000       0.40887000     -15.80877000       0.11574216      -0.76510585       0.52271205
Zn      -0.13678000       2.08941000      -2.32084000       1.62541318      -0.79991084      -0.71016085
Zn      -1.31969000       1.49937000      -8.41655000      -0.52765768      -0.68339108       0.32901671
Zn       1.38708000       2.60455000     -11.16991000       0.17291321      -0.46943472       0.06505219
Zn      -1.54397000       0.18946000     -13.86617000       0.53470371       0.02529556       0.38229195
Zn       1.28066000       2.19802000     -16.33879000       0.45685506       1.00724930      -1.64605881
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.29966336 magmom=2.0213399 free_energy=-65.30866926 stress="0.0347296989093601 -0.0006110532991744427 -0.01249124051005501 -0.0006110532991744427 0.0020707966505861025 -0.007119569098633049 -0.01249124051005501 -0.007119569098633049 -0.0034753812393166087" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.99354000       0.23507000      -5.38641000       1.56731144       0.96047930       1.98170546
O       -0.20878000       0.32836000      -1.49421000       0.29589345      -0.66792819      -0.68340340
O        0.18849000       2.15820000      -4.25789000       0.45099150       0.02913138      -0.58161763
O       -1.17195000       1.28370000      -5.94665000      -2.38060991      -0.88498828      -1.57384513
O        0.19909000       0.38094000      -7.94522000       0.09737255       1.40481879       0.37680978
O       -1.73302000       0.72152000     -10.42651000       0.18001666      -0.23013693       0.13011005
O       -1.46830000       2.00844000     -12.96147000      -0.04121949       0.64257976      -1.61117268
O       -1.96959000       0.48446000     -15.61285000       0.65860198       0.08372152      -0.58175130
Zn      -0.13221000       2.08309000      -2.36013000      -0.23880198       0.48193345       0.44272912
Zn      -1.39961000       1.43292000      -8.50852000      -0.16266179      -1.97997535      -0.18515820
Zn       1.43602000       2.54925000     -11.18250000       0.03186215       0.56210637       1.20135146
Zn      -1.46432000       0.21670000     -13.77309000      -0.04435803      -0.40992014       0.75616046
Zn       1.35701000       2.29359000     -16.42372000      -0.41439853       0.00817832       0.32808200
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.58752504 magmom=2.0363533 free_energy=-65.59822456 stress="0.004870921406969016 -0.00395719672081736 -0.013584544554852114 -0.00395719672081736 0.02587647961639761 0.01230733855681537 -0.013584544554852114 0.01230733855681537 -0.009061622608592742" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.02474000       0.21620000      -5.30382000       0.21148436       1.01211306      -0.54925304
O       -0.35742000       0.34187000      -1.53531000       0.97533055      -0.08841070      -0.73402209
O        0.13858000       2.28108000      -4.35216000       0.34944395      -1.15366872       1.45416844
O       -1.34183000       1.19415000      -6.00409000      -0.89198212       0.16235672      -0.48481272
O        0.17834000       0.45005000      -8.01689000      -0.59811365      -0.96498049      -0.21224188
O       -1.62915000       0.71010000     -10.46016000      -0.44442773      -0.35998123      -0.29887932
O       -1.48892000       2.12696000     -13.02628000       0.65141839      -0.12816655       0.00076275
O       -1.88960000       0.54182000     -15.58136000       0.44616683       0.07947536      -0.78565874
Zn      -0.13744000       2.09711000      -2.37036000      -0.69751741       0.05443028      -0.30983627
Zn      -1.47106000       1.29521000      -8.59294000       0.52825401       0.55008686       1.16919344
Zn       1.48227000       2.52755000     -11.13804000       0.63377242       0.40798591       0.15346625
Zn      -1.40130000       0.22240000     -13.66138000      -0.96706562       0.53492253      -0.94347859
Zn       1.40451000       2.37969000     -16.46981000      -0.19676398      -0.10616304       1.54059177
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6216469 magmom=2.1046697 free_energy=-65.63174564 stress="-0.026964176907305428 -0.00810502738675339 0.010798281372600093 -0.00810502738675339 0.008932507636301667 0.00889943996491501 0.010798281372600093 0.00889943996491501 0.0011096480730771628" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.04074000       0.23814000      -5.28702000      -1.82295038       0.00781256       0.46942160
O       -0.26908000       0.31284000      -1.75215000       0.94443619      -0.59670041       0.98742448
O        0.13463000       2.21705000      -4.28245000      -0.38989627      -0.59886588      -0.68318004
O       -1.67793000       1.18615000      -6.01244000       2.17926806       0.65536805      -0.51705725
O        0.05960000       0.32307000      -8.07063000       0.28636066      -0.85415475      -0.35808498
O       -1.62163000       0.63197000     -10.55593000      -0.24041046       0.39070774      -0.09751517
O       -1.37862000       2.20604000     -13.15409000      -0.48352053      -0.60202776       0.98927748
O       -1.71471000       0.61303000     -15.74417000      -0.33243696      -0.11721795       0.23857597
Zn      -0.18465000       2.11684000      -2.37968000      -0.71516897       0.26884420       0.26105557
Zn      -1.51875000       1.17991000      -8.61735000      -0.44564427       0.45792292       1.16984210
Zn      -1.65460000       2.52255000     -11.08000000       0.49133156      -0.33136341      -0.76543036
Zn      -1.38877000       0.25824000     -13.59571000       0.04068359       1.10240156      -1.48365756
Zn       1.43958000       2.45764000     -16.43029000       0.48794780       0.21727312      -0.21067185
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.34057513 magmom=2.1607561 free_energy=-65.35014908 stress="-0.03317195904622702 0.01124494895637913 0.01965319441141105 0.01124494895637913 -0.040838913681894115 -0.02231941250156582 0.01965319441141105 -0.02231941250156582 0.0014895107998819702" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08509000       0.27336000      -5.28705000      -1.20342537      -0.07002229       0.30349199
O       -0.04672000       0.21432000      -1.80105000      -2.98312900       1.43029845       1.42655706
O        0.02172000       2.04626000      -4.36933000      -0.16704817       0.94418534       0.78796937
O       -1.70203000       1.27321000      -5.96674000       1.36223468      -1.01989957      -1.18871430
O       -0.02570000       0.03592000      -8.16627000       0.31001794       1.82630826       0.04456441
O       -1.62172000       0.64088000     -10.66335000       1.12153573       0.31446897       0.78654365
O       -1.33891000       2.17442000     -13.08813000      -0.54951476       0.71305941      -0.26443436
O       -1.61922000       0.68151000     -15.87622000      -0.87687789       0.10863257       1.08916292
Zn      -0.25469000       2.13724000      -2.37331000       3.03203093      -1.64662893      -0.87613326
Zn      -1.58605000       1.07222000      -8.58173000      -0.32377628      -1.98197135       0.25852670
Zn      -1.55399000       2.50652000     -11.05838000      -0.99742656      -0.25295071      -0.61038331
Zn      -1.38260000       0.35438000     -13.61020000       0.23173715      -0.21712124      -0.89147217
Zn       1.50870000       2.54643000     -16.38922000       1.04364160      -0.14835891      -0.86567870
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-66.00670866 magmom=2.2063918 free_energy=-66.01838428 stress="-0.010136212174841891 -0.001938175136053015 -0.01647440842497157 -0.001938175136053015 -0.0124372500767426 -0.0035589470199314495 -0.01647440842497157 -0.0035589470199314495 0.00273836373158991" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06154000       0.28869000      -5.30007000       0.86410164      -1.02680688      -0.00498468
O       -0.26170000       0.28918000      -1.62964000       0.46788297      -0.47594395      -0.31945609
O       -0.13807000       2.03955000      -4.39402000       0.85643423       1.07964810       1.40503564
O       -1.51706000       1.19613000      -6.02179000      -1.88050225      -0.10118227      -1.17731931
O       -0.03185000       0.01961000      -8.24670000      -0.48056308      -0.79775426       0.28544069
O       -1.43394000       0.68419000     -10.61067000      -0.64618811      -0.64071656       0.53887851
O       -1.43147000       2.27599000     -13.06135000       0.37721327       0.54696496      -0.47543483
O       -1.66952000       0.77052000     -15.77539000       0.83918956       0.05266291       0.96057016
Zn      -0.21452000       2.10149000      -2.38021000      -0.20006722       0.22986205       0.14397510
Zn      -1.67546000       0.88160000      -8.52767000       0.75989889       0.68926213       0.13242599
Zn      -1.48858000       2.48562000     -11.07134000       0.46314650       0.68842930      -0.37281671
Zn      -1.36282000       0.45151000     -13.68092000      -0.60247396      -0.11214311      -0.62545703
Zn      -1.58963000       2.62584000     -16.39209000      -0.81807244      -0.13228242      -0.49085743
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.9900556 magmom=2.158004 free_energy=-66.00080406 stress="-0.007027120190018941 0.0010050289706486771 -0.017293826342419688 0.0010050289706486771 0.0197127861622583 0.011959801691796102 -0.017293826342419688 0.011959801691796102 -0.014354209131148498" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15434000       0.26329000      -5.32913000       1.27622056      -0.59579257       0.75381242
O       -0.40716000       0.31305000      -1.54012000       1.16899710      -0.09027469      -0.02195354
O       -0.13523000       2.18243000      -4.28156000      -0.02198712      -0.46905612      -0.77574070
O       -1.62738000       1.07889000      -6.13171000      -1.46113115       0.91533755      -0.13141050
O        1.49081000       2.68953000      -8.24261000       0.25757708      -0.92999804       0.38094132
O       -1.38781000       0.62635000     -10.48425000      -0.48707260       0.27166880      -0.38203846
O       -1.43351000       2.46778000     -13.11511000       0.48048538      -0.41875829       0.62584554
O       -1.59390000       0.85424000     -15.57717000       0.06813494       0.18420242      -2.00879036
Zn      -0.17635000       2.06936000      -2.37021000      -0.78348491      -0.06707549       0.28753556
Zn      -1.71919000       0.74309000      -8.48235000       0.11660058       0.94631727       0.18076684
Zn      -1.41601000       2.49419000     -11.10077000       0.17340340      -0.16432793      -0.32688913
Zn      -1.37477000       0.52883000     -13.76319000      -0.39470773       0.40593333       1.10418612
Zn      -3.12050000      -0.09425000     -16.38786000      -0.39303554       0.01182376       0.31373491
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-66.05830507 magmom=2.093095 free_energy=-66.06518971 stress="0.013043753621598222 -0.0118090705321569 0.006881742360273992 -0.0118090705321569 -0.010203069148417324 0.006917660647467115 0.006881742360273992 0.006917660647467115 -0.006043020004352319" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.18901000       0.21204000      -5.34956000      -0.66277832       0.06899989       0.64530832
O       -0.28752000       0.28825000      -1.55092000       0.63249945      -0.59195886      -0.73975217
O       -0.12167000       2.21893000      -4.34880000      -0.84335861      -0.88850182       0.66947722
O       -1.92781000       1.10064000      -6.08083000       1.51593200       0.45477131      -0.38921818
O       -1.77273000       2.43071000      -8.09414000       0.23577589       1.80848219       0.12873181
O       -1.44469000       0.63125000     -10.45572000       0.75255583       0.29913042      -0.22925121
O       -1.35337000       2.55632000     -13.08636000      -0.63053619      -0.40993444      -0.50960229
O       -1.48435000       0.95340000     -15.75523000      -0.10600416      -0.52746826       0.58385955
Zn      -0.18291000       2.04318000      -2.33605000      -0.34526308       0.54016000      -0.24417988
Zn      -1.74373000       0.66135000      -8.44611000      -0.09370960      -1.44901956      -0.18693711
Zn      -1.34587000       2.49479000     -11.13978000      -0.93165303      -0.31646017       0.39050042
Zn      -1.40500000       0.62105000     -13.78753000       0.50538777       0.59135026       0.07018485
Zn      -3.08167000      -0.03220000     -16.37951000      -0.02884795       0.42044902      -0.18912133
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.58454024 magmom=2.001479 free_energy=-65.58696373 stress="-0.022511759029407503 0.0072507387133132735 0.01860614330716865 0.0072507387133132735 -0.026501457466530026 -0.00634372059737398 0.01860614330716865 -0.00634372059737398 0.01567508357939959" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25315000       0.15143000      -5.36771000      -1.14148623       0.98644935       1.58038175
O       -0.01978000       0.15156000      -1.73532000      -2.28342597       1.18731029       1.07380664
O       -0.26897000       2.09015000      -4.37374000      -0.19344367      -0.14815311       0.56606892
O       -2.03085000       1.16818000      -5.90945000       1.57743311      -1.34711064      -1.47216740
O       -1.74479000       2.47689000      -7.86047000      -0.44585927      -0.30702281      -0.38563014
O       -1.36881000       0.69757000     -10.49341000       0.11933547      -0.62179336       0.20715633
O       -1.38707000       2.57004000     -13.17066000      -0.20978908       0.53171198      -0.25435548
O       -1.40063000       0.97261000     -15.93002000      -0.52670824       0.11729859       1.49797729
Zn      -0.20553000       2.03522000      -2.30099000       2.31493100      -1.16170752      -1.21192893
Zn      -1.77747000       0.51739000      -8.42202000       0.65135264       0.85474713      -0.28442022
Zn      -1.31490000       2.48213000     -11.16010000      -0.42895354       0.57196616       0.33742986
Zn      -1.41434000       0.75608000     -13.79257000       0.21479056      -0.35797593      -0.45381862
Zn      -3.03783000       0.05839000     -16.37414000       0.35182322      -0.30572012      -1.20050001
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.53053982 magmom=1.9994209 free_energy=-65.53112214 stress="-0.01348825732409539 0.007464568977437922 -0.015154550418964647 0.007464568977437922 -0.012463598176853389 0.0014514331939501487 -0.015154550418964647 0.0014514331939501487 0.026971931776424533" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.36927000       0.11119000      -5.33768000       0.87150259      -0.73151794       0.78935499
O       -0.13090000       0.17939000      -1.76881000       0.17980317      -0.59086246       1.06355013
O       -0.49472000       1.91058000      -4.31896000       0.99794936       0.36327417       0.47709212
O       -1.89832000       1.00071000      -5.85239000      -1.39773189      -0.14638041      -1.15450408
O        1.42875000       2.58223000      -7.62916000      -0.06914487      -0.35674971      -0.88981678
O       -1.25182000       0.65966000     -10.49392000      -0.80571341      -0.08433476       0.47500441
O       -3.07735000      -0.08348000     -13.29417000       0.67554385       0.44248176       1.49037287
O       -1.40223000       1.00641000     -15.81117000       0.20851962       0.50618817      -0.24887171
Zn      -0.12559000       1.98241000      -2.31597000      -0.08246022       0.58804593      -0.78464661
Zn      -1.78353000       0.38881000      -8.41267000       0.17832033       1.00636721       0.21285585
Zn      -1.30711000       2.49394000     -11.16381000       0.24433712       0.16559852      -0.54564682
Zn      -1.41242000       0.89047000     -13.82218000      -0.49885074      -0.51244978      -0.28033200
Zn      -2.97523000       0.14765000     -16.42815000      -0.50207491      -0.64966072      -0.60441238
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31383692 magmom=2.0004691 free_energy=-65.31720889 stress="-0.002068841816169385 -0.0041719333768972695 -0.028515773496424746 -0.0041719333768972695 0.02353625951748753 0.006079862003688527 -0.028515773496424746 0.006079862003688527 0.005959955635373107" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.44082000       0.03484000      -5.29139000       0.83129876      -2.00398376       0.09898080
O       -0.30354000       0.19043000      -1.56886000       0.95199486      -0.06068134      -0.78534919
O       -0.52689000       1.78228000      -4.22652000       0.34231362       0.27713430      -0.33705693
O       -2.00241000       0.76960000      -5.90344000      -0.63809816       1.63599159      -0.01865745
O        1.37716000       2.59949000      -7.53921000       0.53385607      -0.60804768      -0.87422113
O       -1.29512000       0.59145000     -10.38852000      -0.34922525       0.41931772       0.25945846
O       -3.03748000       0.13793000     -13.14017000       0.09247959      -0.54218302       0.54891377
O       -1.38492000       1.14253000     -15.75292000       0.06219150      -0.05730455      -0.85624863
Zn      -0.02531000       1.93386000      -2.37694000      -0.95347570       0.00884547       0.02173900
Zn      -1.78074000       0.31847000      -8.39922000      -0.61917848       0.89536132       0.14850050
Zn      -1.29091000       2.51776000     -11.19261000      -0.16694020      -0.24924417       0.07999062
Zn      -1.43303000       0.99995000     -13.85988000       0.00517304       0.28499552       0.60566642
Zn      -2.93218000       0.20419000     -16.50973000      -0.09238964      -0.00020140       1.10828377
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.12709877 magmom=1.9996481 free_energy=-65.13292329 stress="0.019058505893534507 -0.015034179744785351 -0.01382041562867374 -0.015034179744785351 0.01964169637195595 0.006033924153239024 -0.01382041562867374 0.006033924153239024 -0.009698057909646413" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.13200000       2.64424000      -5.31126000      -0.69130567      -0.15142541       0.19002219
O       -0.26914000       0.15245000      -1.56704000       0.74957790      -0.02127564      -0.98016523
O       -0.47142000       1.68655000      -4.24107000      -0.43033990       0.27955691      -0.33879695
O       -2.18588000       0.80116000      -5.84954000       1.71120958      -0.23942183      -0.53726591
O        1.40036000       2.47995000      -7.56726000      -0.30523325      -0.63910509      -0.50686662
O       -1.41893000       0.62120000     -10.24391000       0.55729687       0.45903780      -1.09592792
O       -2.96621000       0.26278000     -12.94179000      -0.54976630      -0.03942040      -2.36765324
O       -1.34937000       1.25573000     -15.83949000       0.04569336      -0.66527027       1.10929687
Zn       0.02361000       1.89401000      -2.43197000      -0.78414763       0.03214784       0.45593247
Zn      -1.80702000       0.30228000      -8.37642000      -0.09747970       0.88058098       0.73681946
Zn      -1.28337000       2.52347000     -11.19836000      -0.63865809      -0.63206720       2.44666514
Zn      -1.45656000       1.12320000     -13.86615000       0.47534524       0.22467307       0.39548021
Zn      -2.89465000       0.26259000     -16.53093000      -0.04219240       0.51198924       0.49245953
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.46615176 magmom=2.0002726 free_energy=-65.46832468 stress="0.022983395071395615 -0.005576282897911076 -0.00822639383129863 -0.005576282897911076 -0.022367471354129496 0.004850518512821381 -0.00822639383129863 0.004850518512821381 0.02862696087594789" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.08619000       2.44028000      -5.36317000       0.73372212       2.32324723       0.55906692
O       -0.03768000       0.08213000      -1.81372000       0.51011367      -0.57464278       1.08964934
O       -0.49243000       1.63763000      -4.36911000       0.01571548      -0.21049313       0.76405043
O       -2.10645000       0.70800000      -5.77597000      -0.14816505      -2.68932260      -1.87633539
O       -1.85486000       2.20327000      -7.63206000      -0.18321680       0.73709949      -0.31793921
O       -1.44438000       0.75575000     -10.29627000       0.35349307      -0.66243585      -0.23144454
O        0.20131000       0.36255000     -13.13813000      -0.27145458      -0.40018430       0.80837664
O       -1.29238000       1.25422000     -15.77870000       0.17787020       0.11278035      -0.90962376
Zn       0.03101000       1.85583000      -2.46697000      -0.47003997       0.81019740      -0.24960568
Zn      -1.84664000       0.33884000      -8.31647000       0.05662489       0.24829433       0.35557931
Zn      -1.31379000       2.50190000     -11.08891000      -0.63001863       0.80878032      -0.33256632
Zn      -1.45531000       1.28052000     -13.84215000       0.32880871      -0.05829885       0.58104103
Zn      -2.85401000       0.35334000     -16.51253000      -0.47345311      -0.44502162      -0.24024876
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.27995196 magmom=2.0432659 free_energy=-65.28413023 stress="-0.0029830505750443165 0.024716842104603003 -0.006629593243406789 0.024716842104603003 -0.025017019022525986 0.003816233460545076 -0.006629593243406789 0.003816233460545076 0.02421742829490675" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.08836000       2.33082000      -5.40805000       1.28224357      -0.93516876       0.39942005
O       -1.39655000       2.75839000      -1.86673000      -1.93174492       1.19061163       1.09439642
O       -0.51083000       1.52981000      -4.39190000       0.26953422      -1.20331865       0.29978216
O       -2.05617000       0.33660000      -5.95118000      -0.91039082       2.00616395      -0.96657219
O       -1.92801000       2.13796000      -7.70143000      -0.02627074       1.43059509      -0.30369641
O       -1.39415000       0.73456000     -10.39913000      -0.07779733      -0.79447003       0.51791948
O        0.11647000       0.40221000     -13.21120000       0.50741061       0.65989312       1.08840167
O       -1.21874000       1.26652000     -15.85123000      -0.34964254       0.45476572       0.08431163
Zn       0.02799000       1.84460000      -2.50423000       1.77083831      -0.81692168      -0.07080710
Zn      -1.88014000       0.37325000      -8.25367000      -0.05967779      -0.95183691      -0.38446820
Zn      -1.37283000       2.52358000     -10.99632000      -0.31511342       0.92551590      -0.79594864
Zn      -1.44026000       1.41276000     -13.79749000      -0.24175446      -1.13767660      -0.53230833
Zn      -2.83721000       0.41467000     -16.50587000       0.08236532      -0.82815279      -0.43043053
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.58651838 magmom=2.0486267 free_energy=-65.59205469 stress="-0.010643624079026383 0.013932794037934324 -0.009034837409356362 0.013932794037934324 0.018776912850581026 -0.001751852644434743 -0.009034837409356362 -0.001751852644434743 0.03360920600820691" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.14461000       2.20581000      -5.46323000      -0.12485191      -0.18878513       0.10549773
O       -3.09170000       0.04192000      -1.70382000      -0.04802227      -0.49659636      -0.83156180
O       -0.46708000       1.22314000      -4.40382000      -0.01668074       0.61278280      -0.01923845
O       -2.10411000       0.32887000      -6.12580000       0.78747065       0.28805217       1.02116071
O        1.24008000       2.32649000      -7.75928000       0.61734879      -1.25340239      -0.38092875
O       -1.39739000       0.58289000     -10.35559000      -0.88865167       1.02323236       0.81852718
O        0.14566000       0.53200000     -13.05082000       0.27445071      -0.24576031       0.10740790
O       -1.22320000       1.35980000     -15.90029000      -0.21544930      -0.15484623       1.10654913
Zn       0.09407000       1.81454000      -2.52716000      -0.09073425       0.50457268       0.46366449
Zn      -1.91694000       0.37023000      -8.23293000      -0.61302913       1.02800861      -1.05408241
Zn      -1.43325000       2.58339000     -10.96605000       0.43115353      -0.71409209      -0.94757994
Zn      -1.43839000       1.47229000     -13.78103000      -0.06081154      -0.30526883      -0.27345636
Zn      -2.82228000       0.42529000     -16.51907000      -0.05219288      -0.09789729      -0.11595944
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.15110565 magmom=2.0000253 free_energy=-65.15298765 stress="0.01676401227012587 -0.006649438670925338 -0.007698469126232304 -0.006649438670925338 0.008655367204818971 -0.014529969703574893 -0.007698469126232304 -0.014529969703574893 0.02619191862820122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.21180000       2.07836000      -5.56224000       0.11381121       2.21423146       1.46718953
O       -0.03022000       0.05154000      -1.71533000       0.90535503      -0.18953273       0.24573122
O       -0.41808000       1.02134000      -4.44945000       0.08572929       1.54686370       0.94742056
O       -2.01547000       0.34320000      -6.01220000       0.23931664      -2.71523019      -1.50524841
O        1.27526000       2.27442000      -7.75842000      -0.51983744      -0.25042864       0.76903769
O       -1.55010000       0.63242000     -10.14294000       0.63935360       0.60823516      -1.33974604
O        0.23712000       0.63076000     -12.85106000      -0.40487571      -0.47436049      -0.86707968
O       -1.28381000       1.42523000     -15.73167000       0.13324258      -0.50197786      -0.36539284
Zn       0.17065000       1.80374000      -2.52348000      -0.93210289       0.08353435      -0.74228164
Zn      -1.97988000       0.41475000      -8.28194000       0.43981910      -0.13513078       0.01784405
Zn      -1.48804000       2.61432000     -10.98649000      -0.65460479      -0.33893418       0.11296237
Zn      -1.43889000       1.51208000     -13.77543000       0.33702816       0.00465402       1.00765939
Zn      -2.80876000       0.42799000     -16.53566000      -0.38223478       0.14807619       0.25190381
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.71975885 magmom=1.9997623 free_energy=-64.71982339 stress="0.012249413894331119 0.0024760115323734975 -0.001513264054988762 0.0024760115323734975 0.02665296975727784 0.0003023509915892539 -0.001513264054988762 0.0003023509915892539 0.016194079999148122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.89907000       2.00321000      -5.63087000       0.76997689      -1.70473909       3.65779379
O        0.01045000       0.00321000      -1.72034000       0.98737466       0.16739451       0.76687263
O       -0.33376000       1.10905000      -4.37475000       0.13812912      -0.05037074      -0.35345093
O       -1.86361000      -0.01878000      -6.01238000      -1.39947159       2.86274560      -0.43442824
O        1.24415000       2.14353000      -7.49946000       0.61573947       0.93298035      -2.79002570
O       -1.62355000       0.87176000     -10.17280000       0.31946367      -0.48279060      -0.75925625
O        0.26058000       0.63402000     -12.79802000      -0.49107007      -0.27109949      -0.71719020
O       -1.33069000       1.38340000     -15.61422000       0.28343611      -0.09477560      -1.13096270
Zn       0.20917000       1.79661000      -2.55298000      -0.92200888      -0.05700431      -0.58896554
Zn      -2.04676000       0.45917000      -8.35661000       0.08355088      -1.38324128       1.08069186
Zn      -1.59258000       2.63101000     -11.01586000      -0.21037095       0.54209844       0.19525704
Zn      -1.41948000       1.56258000     -13.70536000       0.31659871      -0.13679885       0.68758053
Zn      -2.81521000       0.43916000     -16.53471000      -0.49134801      -0.32439895       0.38608371
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.89920794 magmom=2.0287662 free_energy=-64.90212326 stress="0.02287707020197208 0.0018380285804754644 0.004941754015887835 0.0018380285804754644 0.0019072323802067554 -0.005087533705197854 0.004941754015887835 -0.005087533705197854 0.027758599790198613" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.75335000       1.86321000      -5.52042000      -1.58450943       0.86571870       0.27121365
O       -1.32353000       2.76052000      -1.65585000      -0.28857011      -0.06809983      -1.42472178
O       -0.20624000       1.22179000      -4.39176000       0.13598694      -1.13652104      -0.19676303
O       -1.85102000       0.00222000      -6.04980000       1.16654712       1.30205574       0.07704897
O       -1.90837000       2.17126000      -7.60650000      -0.20780887      -0.11106747      -1.17314928
O       -1.62473000       0.99344000     -10.36247000      -0.38828309      -1.60761833       1.14170885
O        0.17528000       0.58622000     -12.88900000       0.06950222       0.65919707       0.01028318
O       -1.31208000       1.31087000     -15.70662000       0.32951731       0.31048191       0.63039207
Zn       0.20278000       1.78584000      -2.60234000       0.19696139       0.29561210       1.76103969
Zn      -2.11943000       0.43705000      -8.39773000       0.81039042      -0.32219670       0.13048993
Zn       1.48202000       2.70447000     -11.04998000       0.27919491       1.44970672      -0.23412210
Zn      -1.37855000       1.60882000     -13.58889000      -0.12367247      -1.23487224      -1.63045116
Zn      -2.85344000       0.43534000     -16.50263000      -0.39525635      -0.40239665       0.63703101
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.55724741 magmom=2.010117 free_energy=-64.56225237 stress="-0.005782234941971761 0.01703466329222322 0.013967773015453057 0.01703466329222322 -0.033447902206463154 -0.020621657881577795 0.013967773015453057 -0.020621657881577795 -0.0003875973297437845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.68371000       1.78585000      -5.38901000      -0.13685847       4.99531257       0.49778615
O       -1.14852000       2.75448000      -1.79106000      -1.52153717       0.77544167       0.61619687
O       -0.07492000       1.15266000      -4.45350000       0.00547980      -0.51515379       1.30885164
O       -1.72402000       0.23165000      -6.03481000       0.14230450      -4.08286709      -1.73874191
O        1.29043000       2.19105000      -7.94234000      -1.40484431       0.19184872       0.42935794
O       -1.73128000       0.84128000     -10.33898000      -0.98265406       0.63488823      -0.67181958
O        0.12483000       0.63452000     -12.96873000       0.99011533      -0.22489834       0.38016545
O       -1.24946000       1.30491000     -15.69687000      -0.47362736       0.29928772       0.29586600
Zn       0.21054000       1.78530000      -2.57213000       1.22011698      -0.54824057       0.40774213
Zn      -2.13347000       0.40493000      -8.43437000       1.70535445      -0.02167671      -0.07796962
Zn      -0.22498000       0.03262000     -11.07383000       1.03119331      -0.62975191       0.52521459
Zn      -1.35140000       1.59787000     -13.56201000      -0.99578786      -0.35560205      -1.83059671
Zn       0.31296000       0.41717000     -16.44278000       0.42074485      -0.51858846      -0.14205296
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.40481618 magmom=2.0149731 free_energy=-65.41044088 stress="0.003396136817477146 0.011672123189927901 -0.013708015679965165 0.011672123189927901 0.008646978772591513 0.014516457772543727 -0.013708015679965165 0.014516457772543727 -0.003648108525688955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.63615000       1.89597000      -5.31531000       0.57503187       0.21127331      -0.42984716
O       -2.87564000       0.04763000      -1.80389000      -0.24267333      -1.33326006       1.36991694
O        0.02652000       1.04232000      -4.35522000      -0.33951009       0.00695126       0.07058993
O       -1.60076000       0.03456000      -6.09123000      -0.31019612       0.36831836       0.26030560
O        1.04936000       2.24155000      -8.10292000       1.49856468      -0.29942959       0.09232037
O       -1.95989000       0.82716000     -10.43397000       1.62966622       1.09085988       0.09396465
O        0.24760000       0.65318000     -12.98560000      -0.50275643      -0.39841770      -0.08731808
O       -1.28131000       1.35178000     -15.64964000      -0.25866105      -0.39860098      -0.31900120
Zn       0.27027000       1.77618000      -2.50920000       0.13883341       1.31492326       0.18216862
Zn      -2.06815000       0.36951000      -8.47277000      -1.22576785       0.42721300       0.16198756
Zn      -0.27534000       0.10094000     -11.08450000      -1.33297219      -1.01451797      -0.25844284
Zn      -1.37138000       1.56264000     -13.62986000       0.15173415      -0.08046536      -0.71795983
Zn       0.28889000       0.37131000     -16.39467000       0.21870673       0.10515260      -0.41868457
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.36808443 magmom=2.1022405 free_energy=-65.37605736 stress="-0.001535711180688326 -0.0026110442604705872 -0.00547666663343188 -0.0026110442604705872 0.008625428526787302 0.004356175997946506 -0.00547666663343188 0.004356175997946506 -0.006402736693834548" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.56632000       2.01999000      -5.29500000       0.16031029      -2.26291215       1.09130403
O       -1.46925000       2.72443000      -1.61560000       1.21388398       0.61600051       0.00872380
O        0.07537000       0.95943000      -4.27514000      -0.12096121       1.11599311       0.55929155
O        0.03846000       2.71030000      -5.97019000      -0.09743845       1.85254374      -1.34448538
O        1.15656000       2.23736000      -8.21229000       0.05501866       0.00649535       0.41769127
O       -1.92337000       1.02614000     -10.55205000      -0.34494119      -0.06209677       0.41050335
O        0.27770000       0.57219000     -13.02811000      -0.88157552      -0.20177393      -0.13466117
O       -1.37646000       1.30875000     -15.69001000       0.20651994      -0.61044826      -0.06689864
Zn       0.34103000       1.81642000      -2.42256000      -1.22323747      -0.78154449       0.08440076
Zn      -2.06079000       0.35418000      -8.51178000       0.13985705       0.41949150      -0.16057972
Zn      -0.37253000       0.11656000     -11.10102000       0.76975128      -0.13160956      -0.55778675
Zn      -1.38892000       1.52242000     -13.73720000       0.40006605      -0.25860707       0.17309668
Zn      -2.93865000       0.32292000     -16.36627000      -0.27725340       0.29846802      -0.48059978
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.1292056 magmom=2.169307 free_energy=-65.13934926 stress="0.006597352596945347 -0.011525172175324755 -0.0029430572190259244 -0.011525172175324755 -0.012720049890519537 -0.007478242407517722 -0.0029430572190259244 -0.007478242407517722 -0.017203978264416827" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48737000       2.05758000      -5.23463000      -0.65531023      -1.16144452       1.17019240
O       -1.42478000       2.68306000      -1.44853000       0.93972212       0.36402724      -1.76806733
O        0.09490000       1.04197000      -4.17661000      -0.02332132       0.97503568       0.39137588
O       -1.54713000       0.11579000      -5.86857000       0.69726934       0.74449373      -1.19368085
O       -1.86353000       2.15821000      -8.18701000      -1.63128982       0.66493688       0.70245727
O       -1.88390000       1.19135000     -10.58319000      -0.71746231      -1.64807020       0.45923024
O        0.11335000       0.44510000     -13.11867000       0.18178115       0.33705077       0.24538688
O       -1.42046000       1.14190000     -15.76368000       0.66166421       0.50138703       0.69226458
Zn       0.35433000       1.83107000      -2.31000000      -1.01925312      -0.76645980       0.07105231
Zn      -2.05341000       0.38066000      -8.57586000       1.68795753       0.01858503      -0.18682921
Zn      -0.45248000       0.12979000     -11.15527000       1.04596847       1.13877872      -0.97773539
Zn      -1.38842000       1.46096000     -13.84216000      -0.45918511      -0.63550771       0.36834955
Zn       0.24712000       0.29904000     -16.34489000      -0.70854090      -0.53281286       0.02600368
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.32251554 magmom=2.0158727 free_energy=-65.3281222 stress="0.009931920896495458 0.026397946706326076 -0.00408009848298493 0.026397946706326076 -0.001612848244352562 -0.015225236389868061 -0.00408009848298493 -0.015225236389868061 -0.02763280479520027" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.42939000       2.05063000      -5.12363000      -0.50772826       2.66569771       0.40363022
O       -1.17217000       2.74254000      -1.60856000      -1.41191589       0.22088148       1.23485652
O        0.10656000       1.30691000      -4.08785000       0.61155181      -0.12732711      -0.31921436
O       -1.44786000       0.43542000      -5.86712000      -0.05065896      -2.38609480      -0.31709789
O        1.23794000       2.25220000      -7.98467000       0.15022769       0.60142446      -0.73724652
O       -2.02206000       1.05914000     -10.53866000      -0.33394387       0.12502841      -0.56028748
O       -0.02125000       0.35334000     -13.17975000       1.01137472      -0.21721294       0.04960587
O       -1.36766000       1.05183000     -15.76573000      -0.85424447       0.67509466      -0.61492951
Zn       0.31486000       1.80469000      -2.17562000       1.16078806      -0.14822305      -0.83798914
Zn      -1.95746000       0.40807000      -8.65555000      -0.12363191      -0.13347762       1.23567374
Zn      -0.47466000       0.19061000     -11.26166000       0.59154792      -0.39608099       0.35290221
Zn      -1.41548000       1.36576000     -13.92283000      -1.10095564       0.15761032       1.42439230
Zn       0.18664000       0.23600000     -16.32794000       0.85758880      -1.03732054      -1.31429595
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.15348586 magmom=2.0036704 free_energy=-65.15856283 stress="-0.0005769383524885349 0.007654265947206612 -0.018278314375463393 0.007654265947206612 -0.02278690410659624 0.004165367646338333 -0.018278314375463393 0.004165367646338333 -0.03091444618962699" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.40389000       2.12248000      -5.04576000      -0.10832082       2.50237797      -0.86056378
O       -2.79790000       0.01278000      -1.57816000      -0.75462101      -1.13066268       0.61197929
O        0.19865000       1.55192000      -4.09795000       0.28822421      -1.07468296       1.22256576
O       -1.38397000       0.47083000      -5.78240000      -0.11859000      -1.26088833      -0.36455175
O        1.19807000       2.42737000      -7.93390000       1.24471981      -0.65223540      -0.82401116
O       -2.16546000       0.95843000     -10.59595000       1.47545868       0.82606662      -0.02485395
O        0.04707000       0.27038000     -13.24475000       0.18124898       0.59326070      -0.20536879
O       -1.44487000       1.09432000     -15.86723000       0.06582393      -0.48187844       0.55629468
Zn       0.32817000       1.78220000      -2.09660000       0.54787733       1.14681357      -1.33440277
Zn      -1.88553000       0.42738000      -8.66855000      -1.25715840       0.93297572       0.89778147
Zn      -0.47182000       0.22342000     -11.33384000      -1.10224320      -0.95119924       0.49524570
Zn      -1.48811000       1.28377000     -13.92238000      -0.41088146      -0.78248269       0.39576635
Zn      -3.05022000       0.13240000     -16.36570000      -0.05153804       0.33253516      -0.56588105
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33265922 magmom=2.1578379 free_energy=-65.34205126 stress="-0.022973486831696005 -0.029123532845399515 0.0026031309818498635 -0.029123532845399515 -0.006711898800914023 0.005931139118267179 0.0026031309818498635 0.005931139118267179 -0.04445303837003786" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.38260000       2.27680000      -5.03839000       0.71274373       0.78729073       0.78792470
O       -1.38496000       2.68917000      -1.53248000       1.88136897       0.81272328      -0.89284076
O        0.32200000       1.62371000      -3.98623000      -0.75417894      -1.25477926      -0.39028876
O       -1.36613000       0.43989000      -5.64901000      -0.08237146       0.49666433      -1.38581113
O        1.41210000       2.44397000      -8.08734000      -1.00792975      -0.63815103      -0.15848294
O       -2.04351000       1.03109000     -10.69551000      -0.51670135       0.44783330       0.20470891
O        0.13689000       0.27784000     -13.34173000      -1.64136630      -0.76970835       0.89914414
O       -1.52356000       1.03233000     -15.88064000       0.58622771      -0.53942791       0.81292851
Zn       0.37160000       1.80365000      -2.08096000      -1.82311959      -0.84157138      -0.64215559
Zn      -1.87320000       0.49721000      -8.62518000       0.91151053       1.01926920       0.05337883
Zn      -0.50930000       0.20399000     -11.37011000       1.10593390      -0.67240887       0.13226655
Zn      -1.57802000       1.17366000     -13.89047000       1.20024605       0.51788971      -0.53948161
Zn      -3.06885000       0.05693000     -16.41315000      -0.57236350       0.63437626       1.11870914
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50293277 magmom=2.2630102 free_energy=-65.51488583 stress="-0.006355239770578982 0.003206390059190159 0.005081190241020399 0.003206390059190159 -0.03560973425109163 -0.008150442554504164 0.005081190241020399 -0.008150442554504164 -0.043062560815267645" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.33627000       2.47836000      -5.01018000       0.11860144      -0.91664032       0.72732698
O       -1.23893000       2.68587000      -1.65068000      -0.66175921       0.35195963       1.10402433
O        0.34352000       1.45882000      -4.02779000      -0.42805161       0.80457279      -0.02066828
O       -1.34563000       0.56772000      -5.64986000       0.29295752       0.25902809      -1.43052372
O       -1.72348000       2.35123000      -8.29100000      -0.53368214       2.56861161       0.60538396
O       -1.96456000       1.19471000     -10.76533000      -0.54305237      -1.47297611       0.29537715
O       -0.05945000       0.16104000     -13.28868000       0.53944460      -0.29608947      -0.14885372
O       -1.48891000       0.84246000     -15.76470000      -0.22993339       0.62036160      -0.84863306
Zn       0.33466000       1.79768000      -2.09141000       0.47786367      -0.44910727      -1.01232032
Zn      -1.82250000       0.62267000      -8.57383000       0.49881056      -2.01724440      -0.53218144
Zn      -0.50389000       0.14570000     -11.39570000       0.77508298       0.92250996       0.83983310
Zn      -1.62902000       1.06859000     -13.87170000      -0.57194678       0.30749305       0.43204964
Zn      -3.11929000       0.00627000     -16.40549000       0.26566473      -0.68247915      -0.01081462
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.57143652 magmom=2.3159833 free_energy=-65.58241444 stress="-0.015556701219091964 0.027000110430022324 -0.0031346636224739498 0.027000110430022324 -0.030963443359465104 -0.013724404335035472 -0.0031346636224739498 -0.013724404335035472 -0.03802314807189078" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.28675000       2.62230000      -4.98670000      -0.01186417      -2.30047351      -2.02269638
O       -2.76264000      -0.00508000      -1.57813000      -1.08482334      -0.98765479       0.37175594
O        0.28763000       1.47833000      -4.10555000       0.18250103       2.64377442       1.49441631
O       -1.27947000       0.71683000      -5.79448000      -0.20611452      -0.13579470      -0.02828063
O        1.41147000       2.64094000      -8.35515000       1.44666003      -1.12047197       0.31128292
O       -2.02307000       1.07546000     -10.79323000      -0.11516910      -0.48052377       0.22472593
O       -0.19178000      -0.02648000     -13.28034000       0.86907230       0.79178680      -0.20697905
O       -1.50302000       0.78773000     -15.80897000      -0.54167929       0.71171884       0.28388721
Zn       0.30622000       1.76225000      -2.14512000       0.88711760       0.75337792      -0.69651160
Zn      -1.73468000       0.68463000      -8.55010000      -1.54002118       1.40041048      -0.31990288
Zn      -0.44994000       0.12798000     -11.36826000       0.37614445       0.15630968       1.16422121
Zn      -1.69721000       0.98197000     -13.83636000      -0.76797413      -0.80175173      -0.52499002
Zn      -3.15540000      -0.07617000     -16.38358000       0.50615033      -0.63070767      -0.05092896
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.90275737 magmom=2.3901878 free_energy=-65.91598022 stress="-0.028416195954268166 -0.023528296743699436 -0.007948830718576418 -0.023528296743699436 -0.0023735286550999463 0.008380510853600892 -0.007948830718576418 0.008380510853600892 -0.03284061712480083" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.24638000       2.66800000      -5.08083000      -0.62426845       0.40027706       0.00689099
O       -1.32974000       2.71538000      -1.53010000       0.26879487      -0.08784403      -0.88846269
O        0.26838000       1.86016000      -4.07160000       0.67038581      -0.66397102      -0.98055303
O       -1.25565000       0.80155000      -5.83092000      -0.16358741       0.28439921      -0.36733936
O       -0.05283000      -0.04486000      -8.30604000      -1.15373511      -1.17729321       0.23533411
O       -2.04649000       0.86517000     -10.78129000       1.31635772       1.43484220       0.53799838
O       -0.14033000      -0.05414000     -13.33443000      -0.63803472      -0.02554416       0.71098062
O       -1.60853000       0.84930000     -15.83295000       0.36161401      -1.10555414       0.80238038
Zn       0.32969000       1.75902000      -2.20643000      -0.31700100       0.08917262       0.84187560
Zn      -1.71089000       0.79188000      -8.55014000       0.95524377       1.18650801      -0.20053625
Zn      -0.39226000       0.11846000     -11.28374000      -0.82544218      -1.47797648      -0.24484149
Zn      -1.79672000       0.86983000     -13.82020000       0.54851142       0.03233700      -0.54216100
Zn      -1.56590000       2.61438000     -16.37429000      -0.39883872       1.11064694       0.08843375
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.82469964 magmom=2.2584762 free_energy=-65.83566734 stress="-0.016757950503979793 -0.010420866253598999 -0.004351686143390765 -0.010420866253598999 -0.0319318319065563 0.0007230919581272672 -0.004351686143390765 0.0007230919581272672 -0.020995085225500254" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.23698000       2.71873000      -5.19264000      -0.62375877       1.41654450       0.22014377
O       -1.39102000       2.64157000      -1.64467000       1.22603972       0.83723750       0.69347050
O        0.34295000       2.08315000      -4.24238000       0.19143845      -1.54863257       1.50705560
O       -1.27839000       0.94243000      -5.81537000       0.25881988      -0.07697755      -1.60176263
O        1.56826000       2.66002000      -8.22582000      -0.15064386       2.55646397       0.36346645
O       -1.89362000       0.95228000     -10.68549000      -0.72733876       0.20126873       0.38746440
O       -0.21596000      -0.07464000     -13.24141000      -0.29160567      -0.61941204       0.43861504
O       -1.62763000       0.73212000     -15.74134000       0.41652741      -0.02001904      -0.65590336
Zn       0.32595000       1.76047000      -2.21882000      -1.33672500      -0.67147314      -0.85199235
Zn      -1.67520000       0.92689000      -8.56725000       0.04936659      -2.41489833      -0.24561275
Zn      -0.36002000       0.04087000     -11.21516000       0.97902679      -0.37636973      -0.24110734
Zn      -1.85570000       0.77318000     -13.82932000       0.32275748       0.64834128       0.63059609
Zn      -1.59528000       2.57374000     -16.34227000      -0.31390427       0.06792642      -0.64443341
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.94357682 magmom=2.0644025 free_energy=-65.95004399 stress="-0.0020055409923504987 0.019054148639840146 -0.0008762761057510496 0.019054148639840146 -0.012349140920631265 0.004919847442327627 -0.0008762761057510496 0.004919847442327627 -0.013023175247421512" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.85543000       0.03871000      -5.28467000       0.16130001       1.63457279       0.95511954
O       -1.25075000       2.71400000      -1.66315000      -0.94337623      -0.33147639       0.93766197
O        0.42017000       2.02880000      -4.24915000      -0.53133484      -0.39372933      -0.09975152
O       -1.27413000       1.10870000      -5.95913000       0.13635083      -1.43711056      -0.63193854
O       -0.07112000       0.15305000      -8.02769000       0.81406057      -0.83463259      -0.13870629
O       -1.84824000       1.03188000     -10.52456000      -0.17656546      -1.75751683      -0.34481947
O        1.24764000       2.56365000     -13.11553000       0.67242882       0.14681843      -0.71202534
O       -1.57976000       0.60182000     -15.76505000      -0.71623877       0.92711075       0.52174981
Zn       0.26683000       1.73390000      -2.25815000       0.70074997       0.37591243      -0.72963849
Zn      -1.63123000       0.97204000      -8.59179000      -0.72000095       0.81718984       0.98246634
Zn      -0.28923000      -0.04120000     -11.15858000       0.22474445       1.65911212       0.14853686
Zn      -1.89281000       0.71582000     -13.80526000      -0.40957207      -0.03604080       0.40076308
Zn      -1.63440000       2.54332000     -16.34207000       0.78745367      -0.77020984      -1.28941796
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.96871033 magmom=2.0060313 free_energy=-65.97372827 stress="0.004299706131375351 0.00028575297133682907 0.004891653690519262 0.00028575297133682907 0.017781104754714942 -0.004933961978581881 0.004891653690519262 -0.004933961978581881 0.003449073084864228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.87484000       0.21553000      -5.38877000       0.18749953      -0.84847457       0.35267020
O       -1.26976000       2.73276000      -1.54138000      -0.50399322      -0.36581029      -1.25218016
O        0.40283000       1.90551000      -4.31263000      -0.23915894       0.79550357       0.07839265
O       -1.25409000       1.11705000      -6.06764000      -0.36085927       0.04501231       0.23005247
O        0.04088000       0.31233000      -7.84444000      -0.41383054      -1.13402798      -0.76182358
O       -1.84407000       0.78994000     -10.46456000       0.47222847       0.62948685      -0.29575301
O        1.24590000       2.44813000     -13.09528000       0.25085207       0.83668278       0.40171033
O       -1.64350000       0.64890000     -15.72920000       0.07919430      -0.12708889       0.48918292
Zn       0.23237000       1.72285000      -2.32983000       0.43621004       0.40457875      -0.01522576
Zn      -1.61155000       1.04877000      -8.56130000       0.60529142       0.88837117       1.37185031
Zn      -0.19896000      -0.05500000     -11.09203000      -0.40216231      -0.63974773      -0.60505714
Zn      -1.95179000       0.65232000     -13.75155000       0.05055340      -0.65636623      -0.32687862
Zn      -1.64390000       2.47483000     -16.39932000      -0.16182494       0.17188026       0.33305939
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.65136623 magmom=2.0056885 free_energy=-65.65247527 stress="-0.027503969211582196 -0.010229040149029742 0.014402277065107954 -0.010229040149029742 0.01040243455910501 0.0017677124314707765 0.014402277065107954 0.0017677124314707765 0.02144508744163545" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.89680000       0.36885000      -5.53462000      -0.73390841      -3.00156017       0.88757961
O       -1.42373000       2.66818000      -1.67209000       0.10624153       0.04076372      -0.27241794
O        0.31916000       1.90740000      -4.40678000      -0.13602945       1.15560131       0.63858968
O       -1.31486000       1.13166000      -6.00159000       0.30761247       1.54289859      -1.23499458
O        0.14992000       0.20243000      -7.72236000      -0.24043610       0.31208892      -0.35749381
O       -1.72880000       0.64500000     -10.44738000       0.01689728       1.37450908       1.19358366
O        1.29455000       2.47470000     -13.02884000      -0.69433232      -0.41905302       0.09832048
O       -1.72177000       0.68488000     -15.62091000       0.24759174      -0.81206093      -0.95150565
Zn       0.22104000       1.73357000      -2.40542000      -0.23268034       0.01339436      -0.22555951
Zn      -1.56393000       1.18257000      -8.45512000       0.52877903      -0.45397364       0.25651911
Zn       1.47938000       2.69100000     -11.06920000       0.05379433      -1.09194936      -0.60716920
Zn      -2.01108000       0.55547000     -13.70109000       0.91598784       0.50883512       0.06497091
Zn      -1.65490000       2.40678000     -16.44445000      -0.13951758       0.83050602       0.50957724
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6688591 magmom=1.999043 free_energy=-65.66911102 stress="-0.0048989398909596174 -0.011809741425731334 -0.0035665552323106277 -0.011809741425731334 -0.004596062478007669 -0.0026542408338704926 -0.0035665552323106277 -0.0026542408338704926 0.02482098752642091" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.95040000       0.39538000      -5.64632000      -0.51936342      -0.63870800       2.62614269
O       -1.52054000       2.63068000      -1.86352000       0.94376587       0.55501155       1.62201719
O        0.20069000       2.06815000      -4.44833000       0.13056220       0.46184243      -0.65109449
O       -1.36283000       1.32242000      -6.04154000       0.10964169      -0.72641810      -0.88537852
O       -3.01655000       0.20026000      -7.62988000      -0.13674956       2.01339318      -0.72375747
O       -1.59010000       0.77874000     -10.22290000      -0.32123596      -0.17971105      -1.01201952
O        1.21726000       2.43616000     -12.95295000      -0.09337371      -0.46517886      -0.48164842
O       -1.74104000       0.55768000     -15.68066000       0.28215838      -0.07899287       0.08043975
Zn       0.19033000       1.74057000      -2.49113000      -1.09329876      -0.50599316      -0.71057777
Zn      -1.48652000       1.28142000      -8.34346000       0.25533284      -1.44030158       0.24461622
Zn      -1.66297000       2.58698000     -11.05510000       0.24787334       0.24815548       1.16786400
Zn      -2.02489000       0.48159000     -13.65401000       0.48370925       0.58578364      -0.67235077
Zn      -1.67673000       2.37997000     -16.46109000      -0.28902216       0.17111735      -0.60425288
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.62900119 magmom=2.0001538 free_energy=-65.62900731 stress="-0.01139577773322106 0.007619270810420754 -0.009055869878288016 0.007619270810420754 0.009029848602319588 0.0017530531425415242 -0.009055869878288016 0.0017530531425415242 0.025820145858415963" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18769000       0.39605000      -5.61653000       0.01171784       0.91177106       0.87459751
O       -1.45584000       2.68790000      -1.77608000      -0.37953134      -0.16601920      -0.47644613
O        0.11956000       2.29306000      -4.60871000       0.48630730      -0.28208874       1.05690400
O       -1.40270000       1.36323000      -6.17611000      -0.46739999      -0.46816594       0.70322666
O        0.20508000       0.53854000      -7.61198000      -0.02468175      -1.61416673      -0.78395444
O       -1.53417000       0.86438000     -10.15411000      -0.00242409      -1.53219823      -0.66689157
O        1.13101000       2.30116000     -12.94748000       0.78784472       0.17290020       0.12942460
O       -1.70310000       0.42295000     -15.74043000      -0.15386574       0.61129028       0.59849012
Zn       0.11529000       1.72760000      -2.59560000       0.15932207       0.34456338       0.19112763
Zn      -1.39962000       1.31020000      -8.24290000      -0.06703416       0.79109054      -0.73470638
Zn      -1.58213000       2.51279000     -10.99808000      -0.20288627       1.59397590       0.16770760
Zn      -2.01180000       0.44506000     -13.64679000      -0.21173465       0.05104604      -0.91554723
Zn      -1.71012000       2.36538000     -16.49925000       0.06436607      -0.41399856      -0.14393238
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.61252942 magmom=2.0175859 free_energy=-65.61482223 stress="-0.011135639403533107 0.0088158684608363 -0.0032139417484626925 0.0088158684608363 0.019659560295089286 0.0056617164189242935 -0.0032139417484626925 0.0056617164189242935 0.036112429571659874" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10905000       0.43949000      -5.55519000       0.12530632       0.00427136       0.29036225
O       -1.45598000       2.72176000      -1.78882000      -0.53282210      -0.16641812      -0.81951214
O        0.12587000       2.44487000      -4.57737000      -0.23715846      -1.17968121       1.27338071
O       -1.51390000       1.32673000      -6.08891000       0.66765804       1.26654954      -0.18797070
O        0.23374000       0.54066000      -7.67475000       0.19628881      -1.36974313       0.07953862
O       -1.48913000       0.64835000     -10.23245000      -0.16501897       0.41408766       0.50760791
O        1.21217000       2.21144000     -12.92217000       0.32584631       0.66207780      -0.02188434
O       -1.69692000       0.42061000     -15.69231000      -0.32537983       0.34434792      -0.43231046
Zn       0.04320000       1.73011000      -2.68499000       0.37774651       0.29378502       1.03199907
Zn      -1.32658000       1.37855000      -8.19503000      -0.87188486       0.45301699      -1.61910670
Zn      -1.50972000       2.51685000     -10.92903000      -0.05633619      -0.12974489      -0.52707531
Zn      -2.00528000       0.41024000     -13.68987000       0.20641989      -0.40956276       0.00664690
Zn      -1.74118000       2.32910000     -16.54181000       0.28933453      -0.18298616       0.41832420
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.71943867 magmom=2.0111754 free_energy=-64.72082094 stress="0.003875973515890665 -0.004416898136028524 0.0011346469836092618 -0.004416898136028524 -0.020525171840030883 0.003059380911171014 0.0011346469836092618 0.003059380911171014 0.022878874678433955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02358000       0.50674000      -5.48699000       1.10103007       0.78139060       1.34853399
O       -1.60127000       2.71831000      -1.99204000      -0.29805508      -0.19662602       1.38423162
O        0.10802000       2.42743000      -4.36734000      -0.29522947       0.79357283      -2.66605258
O       -1.55573000       1.49899000      -5.87362000      -0.17258942      -1.55642170      -1.38823269
O       -2.89488000       0.31603000      -7.61501000      -0.52955919       3.60698788       0.66870340
O       -1.44881000       0.42902000     -10.18773000       0.44721721       1.49351617       1.05426484
O       -1.81020000       2.23546000     -12.90376000      -0.66365135      -0.27300923      -0.15706059
O       -1.76887000       0.50739000     -15.73265000       0.04972034      -0.51611880      -0.55187446
Zn      -0.02758000       1.74519000      -2.71899000       0.06380140      -0.70235001       2.67311162
Zn      -1.28400000       1.46458000      -8.25245000      -0.17097603      -3.58391143      -1.14534446
Zn      -1.42522000       2.52568000     -10.87786000      -0.61631095      -1.05326288      -1.30849181
Zn      -1.98170000       0.34524000     -13.74798000       1.02019357       0.51788459       0.45313753
Zn      -1.76391000       2.27150000     -16.57362000       0.06440890       0.68834801      -0.36492641
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.4840164 magmom=1.9412072 free_energy=-64.48832601 stress="-0.008480127174253673 -0.013948673354652413 -0.013599859838873515 -0.013948673354652413 0.012146051800633042 -0.005554041773220213 -0.013599859838873515 -0.005554041773220213 0.03197070205307542" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01253000       0.61834000      -5.35632000       0.98815677      -0.33535962      -1.53339849
O        1.38200000       2.67833000      -1.95795000       1.01506215       0.18821421       1.12235910
O        0.00135000       2.50486000      -4.53894000      -0.24822688      -0.59219669       2.66455113
O       -1.59526000       1.51653000      -5.83171000       0.04051398       0.71400702      -0.91060790
O        0.29140000       0.63331000      -7.39998000      -0.47415936      -0.81458614      -1.81658444
O       -1.33314000       0.48394000      -9.94705000      -0.27863958      -0.43046267      -2.86127957
O       -1.71945000       2.22630000     -12.90457000      -0.71606060      -0.37480679      -0.05500138
O       -1.85256000       0.48670000     -15.88997000       0.33286719      -0.76289675       0.91452216
Zn      -0.11498000       1.73611000      -2.63083000      -0.87203240       0.00366353      -0.37668752
Zn      -1.24333000       1.42221000      -8.37134000      -0.36173473       1.09945976       3.79184675
Zn      -1.34714000       2.47888000     -10.88702000      -0.12342925      -0.22125867      -0.31396318
Zn      -1.89013000       0.29146000     -13.79934000       0.98452863       0.67398664      -0.03871042
Zn      -1.78820000       2.24123000     -16.63429000      -0.28684590       0.85223616      -0.58704624
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.96461767 magmom=1.999908 free_energy=-64.96470803 stress="-0.008117160843045052 0.0015515666111509897 -0.028073394865505707 0.0015515666111509897 0.04648195973725695 -0.0014693540271636949 -0.028073394865505707 -0.0014693540271636949 0.017697389377609375" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00424000       0.71944000      -5.34700000      -0.02395815      -0.55588976      -0.56689855
O        1.33050000       2.66326000      -1.77628000       0.27714192       0.28760324      -1.77680234
O       -0.11213000       2.51924000      -4.35366000       0.57285584       0.15211376       0.92705797
O       -1.61116000       1.59902000      -5.86649000       0.21773949       0.52468752      -0.25592503
O        0.18891000       0.82444000      -7.42005000       1.54268616      -1.51001205      -0.72506860
O       -1.26438000       0.52820000     -10.14921000      -0.33793956       0.34903747      -0.13852824
O       -1.77352000       2.14054000     -12.91827000       0.31377337       0.13490691      -0.65236357
O       -1.86014000       0.32810000     -15.88258000       0.34517604       0.46893952       0.56410394
Zn      -0.24036000       1.72320000      -2.53440000      -0.26807872       0.03574518       0.03795655
Zn      -1.23364000       1.41177000      -8.33902000      -2.26219361       0.64361492       0.63304423
Zn      -1.28002000       2.41451000     -10.93209000      -0.09199937      -0.08877484      -0.90566573
Zn      -1.74856000       0.27298000     -13.84721000      -0.07321648       0.09132717       0.58686190
Zn      -1.82694000       2.24921000     -16.70287000      -0.21198693      -0.53329904       2.27222747
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.02353223 magmom=2.0514963 free_energy=-65.02850718 stress="-0.003346952495987888 0.00010206935856943445 -0.004162346400155385 0.00010206935856943445 0.01778749924947101 0.012143253201563634 -0.004162346400155385 0.012143253201563634 0.02687910953818357" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02964000       0.78794000      -5.40439000       0.40699051       0.17924348       1.94494574
O        1.34661000       2.69924000      -1.85577000      -0.62804327      -0.26223015       1.13124171
O       -0.10149000       2.56108000      -4.11820000       0.30291309       0.57246972      -2.45414425
O       -1.58198000       1.74426000      -5.85952000       0.03666449      -0.77978362      -0.53590521
O        0.30803000       0.69122000      -7.54864000      -0.87487298      -0.77044496      -0.61522040
O       -1.26645000       0.58034000     -10.39617000       0.08909780      -0.47349359       1.22964445
O       -1.75935000       2.08874000     -13.04159000       0.74851231       0.23173272      -0.19150522
O       -1.81027000       0.27215000     -15.79799000      -0.39275627       0.55825060      -0.84142951
Zn      -0.36180000       1.70672000      -2.44294000       0.67353897      -0.16276008      -0.20710564
Zn      -1.31877000       1.44141000      -8.26179000       0.18168832       0.44373639      -0.34135548
Zn      -1.23025000       2.35987000     -11.02147000      -0.43445400       0.80728100      -1.01910262
Zn      -1.62783000       0.26462000     -13.85701000      -0.50397300       0.02252299       0.82512832
Zn       1.34686000       2.24369000     -16.66235000       0.39469405      -0.36652452       1.07480811
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.41146427 magmom=2.0163711 free_energy=-65.4169061 stress="0.007821532755697542 -0.0030662849939396644 0.0012280308390828817 -0.0030662849939396644 -0.006622894306560087 0.00845452898522285 0.0012280308390828817 0.00845452898522285 0.023880866131285396" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07909000       0.84632000      -5.37179000      -0.31162486      -0.71117304       0.94633804
O        1.24488000       2.67422000      -1.78441000      -0.33683136      -0.41532396       0.16597795
O       -0.02609000       2.69382000      -4.36677000       0.21191647      -0.21974673       0.97475871
O       -1.55972000       1.73830000      -5.89278000       0.12424951      -0.20722021      -1.06125689
O        0.29072000       0.44105000      -7.70192000      -0.56178785       2.17197386      -0.06078229
O       -1.25974000       0.55417000     -10.36023000       0.07080352      -0.08127915      -0.16916921
O       -1.58940000       2.10184000     -13.18318000       0.32792192       0.33285408       0.37238485
O       -1.84163000       0.34969000     -15.86696000      -0.21998920       0.15825714       0.25351217
Zn      -0.43302000       1.69097000      -2.37699000       0.65049672       0.60941013      -1.06572681
Zn      -1.39989000       1.48226000      -8.22522000       0.37026969      -1.90294998      -0.94894600
Zn      -1.20945000       2.34889000     -11.15098000      -0.37467956       0.36566678       0.41928433
Zn      -1.54934000       0.25768000     -13.82665000      -0.29512451      -0.04102974      -0.30464670
Zn       1.33025000       2.21062000     -16.55990000       0.34437951      -0.05943918       0.47827185
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.0497243 magmom=2.0094599 free_energy=-65.05687796 stress="-0.020179820726541463 -0.01064091738617885 0.004481291972925536 -0.01064091738617885 0.0064332204553411996 0.01985985026052379 0.004481291972925536 0.01985985026052379 0.015172282009621497" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12663000       0.86502000      -5.32310000      -0.70228618      -0.86704502      -0.84657925
O        1.08175000       2.57290000      -1.68333000       0.87606542       0.42684594      -0.44858032
O        0.07608000       2.74801000      -4.47785000      -0.18278207      -0.74385829       2.20886011
O       -1.53950000       1.67815000      -5.99960000       0.67388689       1.03151002      -0.44601988
O        0.11245000       0.58167000      -7.80811000       0.75043987      -0.51305922      -0.09062873
O       -1.23921000       0.49946000     -10.35865000      -0.08440049       0.30912198      -1.10040305
O       -1.38306000       2.16372000     -13.24922000      -1.40774886      -0.59532004       0.49650068
O       -1.91757000       0.42414000     -15.88934000       0.41013018      -1.21646548       1.24050270
Zn      -0.46976000       1.70173000      -2.36319000      -0.45173810      -0.23599940      -0.40802889
Zn      -1.45414000       1.44343000      -8.24800000      -0.66383575       0.35789258      -0.77509086
Zn      -1.21040000       2.36208000     -11.25174000      -0.19067410      -0.02107985       1.72250615
Zn      -1.48021000       0.25558000     -13.80898000       1.16555605       0.80134647      -0.93523534
Zn       1.33193000       2.18462000     -16.43074000      -0.19261287       1.26611032      -0.61780332
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.16597015 magmom=2.0728642 free_energy=-65.1752659 stress="-0.02968984534067669 -0.0009110571774984173 0.002037562823985005 -0.0009110571774984173 0.03755835568862147 0.000519181399354495 0.002037562823985005 0.000519181399354495 0.014173582528411341" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16125000       0.83704000      -5.36069000       0.23011907      -0.27573281       1.03907311
O        1.07959000       2.54246000      -1.66810000       0.42054540       0.43235770       0.87542291
O        0.13881000       2.63129000      -4.20326000      -0.42438259       0.09612818      -0.96269996
O       -1.43163000       1.75370000      -6.02743000      -0.34591158      -0.19400826       0.23541725
O        0.08232000       0.75552000      -7.86533000      -0.85093230      -1.59261119       0.04066354
O       -1.23463000       0.50871000     -10.60841000      -0.13711103       0.29947422       0.41286227
O       -1.40552000       2.13867000     -13.22882000       0.24265145       0.14383967       0.21617824
O       -1.91135000       0.29280000     -15.66681000       0.18017329       0.68525006      -0.78216265
Zn      -0.53549000       1.70322000      -2.37018000       0.17297223      -0.39207206      -0.21355468
Zn      -1.56291000       1.39521000      -8.34668000       1.16420081       1.34986527      -0.79662928
Zn      -1.22504000       2.37871000     -11.27231000      -0.10596227      -0.05513676       0.57042176
Zn      -1.34039000       0.29198000     -13.83203000      -0.35661060      -0.03298036       0.75232436
Zn       1.32272000       2.21155000     -16.29999000      -0.18975189      -0.46437366      -1.38731688
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.45426738 magmom=2.1624359 free_energy=-64.46492906 stress="-0.010930529413951612 0.015368210527067504 1.4972787449626979e-05 0.015368210527067504 0.006563021781424811 -0.0035840686634990002 1.4972787449626979e-05 -0.0035840686634990002 0.005616684092860282" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21552000       0.79560000      -5.39287000       0.06377163       0.52294821       2.11647015
O        1.17766000       2.62133000      -1.50625000      -0.50280465       0.15555178      -0.09591202
O        0.11828000       2.47551000      -4.09549000      -0.04171796       0.36802411      -1.12385460
O       -1.37043000       1.77993000      -5.86568000      -0.50037685      -1.42028687      -1.03963847
O       -0.02756000       0.58473000      -7.83636000       0.09406213      -0.29229552      -0.84793148
O       -1.26109000       0.57615000     -10.82064000      -0.08523877      -0.37348617       1.73235457
O       -1.41292000       2.11341000     -13.15991000       0.97033303       0.24764848      -0.33213480
O       -1.88384000       0.25537000     -15.57576000      -0.47449797       1.02017324      -0.79470597
Zn      -0.60646000       1.67833000      -2.38001000       0.88161601      -0.20885407       0.53058333
Zn      -1.65726000       1.41861000      -8.52322000       0.33819629       0.27363662       0.47405073
Zn      -1.24975000       2.39953000     -11.25414000      -0.06961512       0.55795089       0.04468129
Zn      -1.18167000       0.34383000     -13.81761000      -1.12502570      -0.04229245       0.93079968
Zn       1.30539000       2.22634000     -16.22046000       0.45129792      -0.80871825      -1.59476240
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.44033728 magmom=2.0434067 free_energy=-64.44731735 stress="0.006057202984995649 -0.0018042499949578593 -0.002789495815866046 -0.0018042499949578593 -0.017549809181437285 -0.007172463348180696 -0.002789495815866046 -0.007172463348180696 -0.0010530033693523736" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27658000       0.77059000      -5.32391000      -1.17904753      -2.21145731       1.10246212
O        1.18320000       2.73825000      -1.41270000      -0.12197710      -0.49886921      -1.58599582
O        0.08084000       2.36243000      -4.25866000       0.01122767       1.07102087       1.42303736
O       -1.42845000       1.56589000      -5.81329000       0.61926105       0.64361121      -1.91557110
O       -0.20249000       0.34249000      -7.89737000       0.50016182       1.44081306      -0.67382079
O       -1.30908000       0.59054000     -10.64769000      -0.03005082       0.22447086       1.01542708
O       -1.20678000       2.16819000     -13.15315000       0.46292876       0.73226874      -0.06267576
O       -1.92861000       0.42725000     -15.66110000       0.47742264      -0.69164523       1.03705103
Zn      -0.63344000       1.64283000      -2.35224000       0.57524272       0.70382655       0.64375105
Zn      -1.71498000       1.45545000      -8.69797000       0.01246849      -1.84316089       0.65736249
Zn      -1.28162000       2.44731000     -11.23114000      -0.21170499       0.14127198       0.04593833
Zn      -1.07719000       0.39058000     -13.75247000      -1.07306194      -0.57546896      -0.61332655
Zn       1.30597000       2.20208000     -16.22040000      -0.04287077       0.86331834      -1.07363944
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.53737984 magmom=1.9984902 free_energy=-64.54544948 stress="0.018850977593793138 -0.0037033440901399033 0.005727522403502545 -0.0037033440901399033 0.010985221342957697 -0.001435746246784829 0.005727522403502545 -0.001435746246784829 -0.022514003238911822" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28419000       0.66820000      -5.22171000      -1.43625644      -1.56387533      -0.41763596
O        1.15026000       2.71713000      -1.61153000      -0.35613990      -0.98935225       1.12138998
O        0.04522000       2.36282000      -4.23528000       0.20400206       0.10649430       1.10773838
O       -1.45370000       1.38123000      -5.99367000       0.72326352       1.10252255      -0.13896360
O       -0.23181000       0.39412000      -8.07399000       0.88158405       0.25606231      -0.30039777
O       -1.35653000       0.60742000     -10.37273000       0.30636599      -0.63842558      -3.58257979
O       -0.94692000       2.33367000     -13.14906000      -1.67134215      -0.84696068       1.09385319
O       -1.88481000       0.46572000     -15.57188000       0.24505924      -0.49910648      -0.23203698
Zn      -0.62506000       1.64922000      -2.29237000       0.93505625       1.09383833      -0.93430061
Zn      -1.77294000       1.41414000      -8.80182000      -0.77476557       0.27764630       3.75235880
Zn      -1.32095000       2.50395000     -11.20170000      -0.07027799      -0.03693481       0.30346841
Zn      -1.02845000       0.41507000     -13.71747000       0.91967699       0.81533115      -0.68407580
Zn       1.30753000       2.22088000     -16.28197000       0.09377394       0.92276018      -1.08881824
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.06961762 magmom=2.134494 free_energy=-65.08215918 stress="-0.013873596631875157 -0.01345359800546654 0.004552895657881766 -0.01345359800546654 0.04573583537463637 -0.00011033716739152658 0.004552895657881766 -0.00011033716739152658 -0.017831072560361757" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24365000       0.51553000      -5.17871000      -0.91689593      -0.35649489      -0.28204817
O        1.04780000       2.53575000      -1.63634000       0.48526938       0.76553273       1.13929718
O        0.00828000       2.34958000      -4.09323000       0.38184279      -0.39761001      -0.80598053
O       -1.44747000       1.33423000      -6.03239000       0.09403224       0.56575363       0.80282690
O       -0.10973000       0.51839000      -8.28267000      -1.72356877      -1.29340511       0.19242179
O       -1.35715000       0.58295000     -10.66267000      -0.17887301       1.15996938       0.84877765
O       -0.98765000       2.35363000     -13.00310000      -0.12741544      -0.36678980      -1.38872034
O       -1.80163000       0.38141000     -15.55279000      -0.35417198       0.67520220      -0.61942089
Zn      -0.56856000       1.69987000      -2.26847000       0.13635100      -0.67341149      -0.68387049
Zn      -1.84355000       1.36909000      -8.74112000       2.17606057       0.85037636       0.56077439
Zn      -1.36424000       2.54949000     -11.15993000      -0.11318629      -0.74394236       0.03414223
Zn      -0.95533000       0.46870000     -13.71213000      -0.43433727       0.24623318       0.02205908
Zn       1.31653000       2.28795000     -16.38545000       0.57489271      -0.43141384       0.17974121
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95436117 magmom=2.4879056 free_energy=-64.97123014 stress="-0.003094527878907868 0.008806779419209461 -0.015766383632153422 0.008806779419209461 -0.020026652550939533 -0.003578663360558257 -0.015766383632153422 -0.003578663360558257 -0.035751690385669624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17959000       0.36377000      -5.17313000      -1.07965879       0.87705859       1.19310445
O        1.05089000       2.51255000      -1.52804000       0.78757020       0.81113284      -1.75927168
O        0.00323000       2.26536000      -4.16282000       0.60635774      -0.39162539       0.66215734
O       -1.49472000       1.34814000      -5.79987000       0.03677985      -0.75430348      -1.78990620
O       -0.23807000       0.40752000      -8.42581000       0.70932051       0.32506387       0.40582360
O       -1.40236000       0.75299000     -10.87795000      -0.32689081      -0.75634014       1.03848206
O       -1.09385000       2.28825000     -13.10699000       0.70122686       0.78721768      -0.34056460
O       -1.79438000       0.44027000     -15.68727000      -0.15734430       0.48894592       0.30518592
Zn      -0.50866000       1.71622000      -2.27464000      -0.44273342      -0.59085152      -0.50409907
Zn      -1.82253000       1.36313000      -8.63451000      -0.21825993      -0.75185628       0.25209407
Zn      -1.40694000       2.56045000     -11.11810000       0.13032510       0.90952930      -0.67229900
Zn      -0.90523000       0.53473000     -13.71172000      -1.45943498      -0.57540301      -0.89028755
Zn       1.35787000       2.33124000     -16.45291000       0.71274195      -0.37856838       2.09958065
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.25139093 magmom=2.4154543 free_energy=-65.26704167 stress="-0.008687926080864706 0.01173424755169165 -0.005730008977047732 0.01173424755169165 -0.05513144218512866 0.004020279004435714 -0.005730008977047732 0.004020279004435714 -0.011252723854501023" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07611000       0.24874000      -5.11290000      -0.28360118       0.66125191       0.44403205
O        1.22695000       2.67893000      -1.74057000      -0.39074304      -0.26709464       0.86716669
O        0.05882000       2.13244000      -4.23119000      -0.42264824      -0.18610522       0.98510821
O       -1.58000000       1.23185000      -5.77963000       0.28231382      -0.71508865      -1.78902171
O       -0.28530000       0.32751000      -8.43707000       1.50071311       0.73417692       0.41391478
O       -1.51589000       0.78655000     -10.84956000       0.78036815      -0.00179546       0.40828386
O       -1.04374000       2.38783000     -13.32884000       0.56021721       0.34223581       0.76543886
O       -1.81358000       0.59673000     -15.80332000       0.58537776      -0.86178091       0.25249656
Zn      -0.46737000       1.69647000      -2.29501000       0.89426476       0.39703280      -0.53340129
Zn      -1.79021000       1.32323000      -8.52032000      -1.07261373      -1.12982224       0.11786527
Zn      -1.44633000       2.61627000     -11.10997000      -0.81971629       0.21519586      -0.78970486
Zn      -0.93849000       0.57103000     -13.75482000      -1.40542614      -0.23746761      -0.72645121
Zn       1.43515000       2.35922000     -16.41739000      -0.20850621       1.04926141      -0.41572720
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26387744 magmom=2.3709683 free_energy=-65.27757115 stress="-0.03847939262103107 -0.018055072695765555 0.012058653770863964 -0.018055072695765555 -0.014686643372845302 0.0091771081846509 0.012058653770863964 0.0091771081846509 -0.001176664286274923" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03576000       0.16582000      -5.05189000       0.50259995      -0.60414846      -1.84584119
O        1.34401000       2.74599000      -1.85859000      -0.60838951      -1.13727358       1.66169530
O        0.03657000       1.98185000      -4.20665000      -0.72393167       0.13109005       0.09111435
O       -1.64063000       0.99631000      -5.97014000       0.02179225       0.47183474       0.47077094
O       -0.07990000       0.36946000      -8.33786000      -2.12963227      -1.54723781       0.01280377
O       -1.49836000       0.77653000     -10.71871000      -0.30871415       0.94029565      -0.00896315
O       -0.95697000       2.54545000     -13.39008000      -1.96376164      -1.19834837       1.02102744
O       -1.71339000       0.60421000     -15.88219000       0.44416109      -0.11169161       0.20731523
Zn      -0.38951000       1.70618000      -2.32802000       0.88126720       1.08234979      -0.05987984
Zn      -1.79504000       1.23109000      -8.40651000       2.41727798       1.15108703       0.31925594
Zn      -1.51888000       2.69339000     -11.14425000       0.45233449      -0.69340055      -0.42587781
Zn      -1.02907000       0.59799000     -13.83722000       1.04294225       1.14049672      -0.37967894
Zn      -1.71037000       2.42590000     -16.38544000      -0.02794597       0.37494639      -1.06374203
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.98334807 magmom=2.3970167 free_energy=-65.99621135 stress="-0.005122505061833942 0.017424132082304818 0.001522157181885649 0.017424132082304818 -0.013535713771164274 -0.00012793761145862305 0.001522157181885649 -0.00012793761145862305 -0.006306734712527895" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11200000       0.07868000      -5.11150000       0.45530226      -1.29968454      -1.15653806
O        1.32559000       2.60672000      -1.67502000       0.27644493       0.62185454       0.06108248
O       -0.08584000       1.86144000      -4.26789000      -0.20763704       0.38029358       0.79969175
O       -1.68271000       0.84981000      -5.94926000      -0.39212101       0.96972038      -0.24974334
O       -0.16115000       0.19672000      -8.22306000       0.72896193       0.87092247       0.02984550
O       -1.51417000       0.93609000     -10.61882000      -0.42896198      -0.60519905      -0.00898769
O       -1.17233000       2.49958000     -13.25096000       0.21650103       0.23306287       0.10146446
O       -1.57591000       0.59186000     -15.88251000      -0.87451877       0.82825950       0.85509061
Zn      -0.28173000       1.75932000      -2.34026000       0.00905490      -0.58616264       0.41140114
Zn      -1.71985000       1.18279000      -8.30747000      -0.47112967      -1.18758553      -0.16224211
Zn      -3.16833000      -0.05952000     -11.17563000       0.49788336       0.58736217      -0.11197993
Zn      -1.08290000       0.66357000     -13.92257000      -0.81124146      -0.04944444       0.45974890
Zn      -1.64339000       2.50582000     -16.41039000       1.00146152      -0.76339931      -1.02883369
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.9412108 magmom=2.2405436 free_energy=-65.95610177 stress="0.0008039708689275614 0.003369018783525118 -0.014226007897068925 0.003369018783525118 -0.002252204996099766 -0.0027517607189890157 -0.014226007897068925 -0.0027517607189890157 -0.026152518639972408" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15733000      -0.03299000      -5.23978000      -0.19837056      -0.42282524       1.25069028
O        1.35074000       2.60424000      -1.57391000       0.58894951       0.64584865      -1.18191636
O       -0.20715000       1.79197000      -4.27306000       0.27601206       0.13978128       0.59442253
O       -1.76806000       0.85560000      -5.85122000      -0.07510455       0.39844209      -1.75470706
O       -0.11723000       0.16330000      -8.07782000       0.77801596      -0.00734745       0.38891861
O       -1.61403000       0.96948000     -10.55576000       0.28147229      -0.39567875       0.17470438
O       -1.34550000       2.48927000     -13.14057000       0.43098493       0.42612225      -0.88785854
O       -1.59345000       0.71489000     -15.77953000       0.04721653      -0.19491404      -0.65786904
Zn      -0.19409000       1.77559000      -2.31928000      -0.54877381      -0.60088988      -0.21700788
Zn      -1.67290000       1.10125000      -8.25044000      -0.74554223      -0.26257330      -0.88399053
Zn       0.03392000      -0.00036000     -11.21162000      -0.21842265       0.33603780       0.80398065
Zn      -1.15574000       0.71859000     -13.95853000      -0.52552059      -0.25788473       1.77325006
Zn      -1.55066000       2.54179000     -16.46219000      -0.09091690       0.19588132       0.59738291
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-66.01768828 magmom=2.0694545 free_energy=-66.02437067 stress="-0.0029916460880615543 -0.011821196773264014 -0.008785593003455217 -0.011821196773264014 -0.012901762147595558 -0.004842522303268901 -0.008785593003455217 -0.004842522303268901 0.009940433615894141" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39550000       2.64100000      -5.33930000      -0.43189711       1.58581648       1.60665790
O        1.49640000       2.74124000      -1.73220000      -0.23246868      -0.46681381       0.72266837
O       -0.27332000       1.75446000      -4.25448000       0.28545037       0.06186412      -0.72924699
O       -1.86222000       0.89925000      -5.93375000       0.61368594      -1.33298178      -0.74062094
O        0.03011000       0.12802000      -7.80513000      -1.50171936      -0.92705948      -0.12695981
O       -1.64447000       0.91116000     -10.46777000       0.50822185       0.49828394       0.11361590
O       -1.39914000       2.58014000     -13.22065000       0.65706502       0.20453180       0.26673741
O       -1.60376000       0.80439000     -15.82060000       0.81843919      -0.39504648      -0.03055528
Zn      -0.13727000       1.75918000      -2.29657000       0.26460475       0.47003490      -0.63575458
Zn      -1.65516000       1.00719000      -8.26009000       1.10372220       0.53082455      -1.04281027
Zn       0.00989000       0.06631000     -11.20555000      -0.32166728      -0.56919450       0.59088453
Zn      -1.26073000       0.75637000     -13.89719000      -0.89890099      -0.05699543       0.39864932
Zn      -1.46685000       2.58279000     -16.48306000      -0.86453590       0.39673568      -0.39326555
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.82762756 magmom=1.9773995 free_energy=-65.82884362 stress="-0.0065364349872805245 0.0007182042448138062 -0.0017798699737461554 0.0007182042448138062 -0.013706135425340993 -0.0020980119085257844 -0.0017798699737461554 -0.0020980119085257844 0.043709765890250094" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32947000       2.58795000      -5.38620000       0.43565070       0.92410531      -0.57734560
O       -1.59988000       2.76796000      -1.80296000      -0.60881235      -0.77199197       0.80753418
O       -0.28427000       1.74578000      -4.39975000       0.32325013      -0.31496966       0.91556300
O       -1.85076000       0.77248000      -5.99371000      -0.00014116      -0.25086292       0.61965245
O        1.50671000       2.68903000      -7.50934000      -0.20440635       0.24602224      -1.91886655
O       -1.58226000       0.94741000     -10.36181000      -0.41057857       0.37526918      -0.58257657
O       -2.94590000      -0.06802000     -13.25103000      -1.28218188      -0.68211305       1.38143143
O       -1.44074000       0.81128000     -15.90452000       0.20001873      -0.09197457       0.89156672
Zn      -0.06376000       1.76987000      -2.30749000       0.52821892       0.73871941      -1.48137122
Zn      -1.59360000       0.92218000      -8.33119000      -0.31311203      -0.51020807       1.07896750
Zn      -0.02993000       0.11037000     -11.15809000       0.56914005      -0.53499746       0.35998337
Zn      -1.41743000       0.79648000     -13.79699000       1.02672886       0.76788937      -1.25299126
Zn      -1.42025000       2.65066000     -16.51493000      -0.26377506       0.10511220      -0.24154745
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.75760006 magmom=1.9963389 free_energy=-65.75847364 stress="-0.011049930956525915 0.02064899800714905 0.0028098224699797097 0.02064899800714905 -0.00216559531262385 0.00213593068677488 0.0028098224699797097 0.00213593068677488 0.02365657894263539" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29563000       2.57526000      -5.48535000       1.29425153      -0.88283831       1.42453690
O       -1.59708000       2.65056000      -1.73598000       0.26332593       0.64225758      -0.10161936
O       -0.22741000       1.68147000      -4.42587000      -0.11164315      -0.40533706       1.07518433
O       -1.85161000       0.64929000      -5.86740000      -0.98351797       1.27170281      -1.43597349
O        1.31953000       2.49656000      -7.49330000       0.59004825       0.43285253      -1.29437398
O       -1.59358000       1.06369000     -10.32899000      -0.32872193      -0.24336936      -0.25849170
O       -3.10463000      -0.04737000     -13.02985000      -0.17776956      -0.05141373      -0.38765449
O       -1.26663000       0.81621000     -15.80849000      -1.29796420       0.53905694       0.79369566
Zn       0.03518000       1.81584000      -2.38868000      -0.29539448      -0.67092174      -1.20182001
Zn      -1.54386000       0.81457000      -8.36975000      -0.58597529      -0.17535673       0.86434512
Zn      -0.04300000       0.12525000     -11.09362000       0.34749039      -0.00557552       0.70716906
Zn      -1.53417000       0.87088000     -13.75631000       0.33997805       0.07305643      -0.68752604
Zn      -2.98329000      -0.06861000     -16.53272000       0.94589242      -0.52411384       0.50252798
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.57794583 magmom=2.000559 free_energy=-65.57796823 stress="0.01986748409429793 0.01629971770338293 -0.005287761037088277 0.01629971770338293 -0.004505126742141512 -0.0031124861611761703 -0.005287761037088277 -0.0031124861611761703 0.0001918013257780275" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31282000       2.53142000      -5.53240000      -0.47794838       0.32964199       1.65581300
O       -1.55382000       2.66255000      -1.71577000       0.37811969       0.47768294      -0.23683404
O       -0.19437000       1.54915000      -4.32690000      -0.60842791       0.24463874      -1.45201365
O       -1.94154000       0.70283000      -5.92494000       1.06661771      -1.01216817      -1.17064439
O        1.28704000       2.40167000      -7.62130000       1.17785508       0.37428431       0.46407283
O       -1.67687000       1.11309000     -10.29305000       0.10424752      -0.67229013       0.24625502
O       -0.12298000      -0.05599000     -12.89131000       0.47010187       0.38527542      -1.05553585
O       -1.33462000       0.90992000     -15.62297000      -0.07590920      -0.10644406      -1.66535750
Zn       0.11722000       1.82852000      -2.51109000      -0.25221211      -0.32073202       0.95891863
Zn      -1.53448000       0.70724000      -8.38290000      -1.17950535       0.28086494      -0.19130409
Zn      -0.03506000       0.13954000     -11.00213000      -0.10069244       0.33970107       0.21908892
Zn      -1.61756000       0.95083000     -13.74977000      -0.37584636      -0.30448861       1.04702118
Zn      -2.90732000      -0.02487000     -16.52891000      -0.12640012      -0.01596642       1.18051995
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.82433286 magmom=2.0002003 free_energy=-65.82435434 stress="0.014376340280448563 -0.002832447865662927 -0.023483620377142383 -0.002832447865662927 0.0009742033866532376 -0.005390824274846391 -0.023483620377142383 -0.005390824274846391 0.029578257368614826" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31795000       2.48698000      -5.51534000       0.73828752      -0.54677615      -0.81220527
O       -3.02084000      -0.00067000      -1.74650000      -0.11902054      -0.23604936      -0.38143734
O       -0.27932000       1.46436000      -4.49672000       0.15502888       0.72879151       0.46424714
O       -1.85516000       0.60403000      -6.14267000      -0.08310085      -0.03702483       0.92415745
O       -1.71002000       2.41373000      -7.63768000      -0.06703842       0.44765546      -1.20328009
O       -1.73249000       1.03390000     -10.22815000       0.72099267       0.44296656      -0.87513945
O       -0.24696000       0.02190000     -12.96235000       0.85753370       0.41222235       0.74713432
O       -1.44126000       1.00459000     -15.71799000       0.92545764       0.16564724       0.47046693
Zn       0.18796000       1.82114000      -2.59616000      -0.02299063       0.16040436       0.87263300
Zn      -1.58931000       0.60112000      -8.39466000      -0.49439952      -0.26868073       1.99926745
Zn      -0.03632000       0.16755000     -10.89692000      -0.89466628      -0.64464569      -1.23982177
Zn      -1.72699000       1.01724000     -13.70144000      -0.48213340      -0.31811151      -0.38820415
Zn      -2.83338000       0.01613000     -16.46407000      -1.23395076      -0.30639922      -0.57781821
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31620102 magmom=2.0000674 free_energy=-65.31672327 stress="-0.029980680410887195 -0.013965171473309768 -0.0121432261633461 -0.013965171473309768 -0.011875123081311662 0.012514346083759805 -0.0121432261633461 0.012514346083759805 0.030258695103036175" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36525000       2.41510000      -5.57788000       1.39021398      -0.60836915      -0.02817860
O       -2.89483000       0.07481000      -1.88101000      -0.28333941      -0.87186650       0.39058566
O       -0.31939000       1.49299000      -4.64385000       1.14577019      -0.14466047       1.66865370
O       -1.75255000       0.47658000      -6.12342000      -1.32526916       1.36494104      -0.56295473
O       -1.55023000       2.48973000      -7.78526000      -3.08550864      -1.70634267       0.14552631
O       -1.65729000       1.01990000     -10.30040000      -0.50815857       0.38806594       0.43586547
O       -0.20353000       0.19512000     -12.92408000      -0.22198672      -0.37547110      -0.22254058
O       -1.37025000       1.11007000     -15.77730000       0.38435507      -0.95476340       0.92141327
Zn       0.26494000       1.82617000      -2.63325000      -0.01043575       0.77506619       0.21712573
Zn      -1.66660000       0.48363000      -8.32614000       2.15004608       1.68662234      -0.55567924
Zn      -0.07906000       0.16600000     -10.84851000       0.42716974      -0.68592847      -1.05080420
Zn      -1.87064000       1.07446000     -13.65583000       0.70780518       0.32439209      -0.18250677
Zn      -2.81592000       0.05242000     -16.41665000      -0.77066197       0.80831415      -1.17650602
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.17345242 magmom=2.0072918 free_energy=-65.17504841 stress="-0.006473683715857153 0.015479041104479958 0.009660540878615223 0.015479041104479958 -0.032829554318260096 0.001007044347703916 0.009660540878615223 0.001007044347703916 0.03680666261410972" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.73319000       2.30941000      -5.68671000      -1.07948761       1.70152477       2.55890849
O       -2.83377000      -0.01268000      -1.94458000      -0.41249715       0.26939062       1.02400729
O       -0.13772000       1.51648000      -4.52762000      -0.07337144      -0.23388629      -0.83357489
O       -1.80993000       0.54450000      -6.08043000       1.09035531      -1.55576160      -1.54287422
O       -1.84546000       2.26583000      -7.86846000       2.07580516       0.15311612       1.24624923
O       -1.66543000       1.08531000     -10.30547000      -0.56866242      -0.71762641       0.54787369
O       -0.21905000       0.28699000     -12.89606000      -1.07016858      -0.83427455      -0.01386892
O       -1.19055000       1.06418000     -15.64783000      -0.77040735       0.11311030      -0.28906676
Zn       0.35170000       1.86912000      -2.65209000       0.25725252      -0.11636375       0.51425864
Zn      -1.68626000       0.43167000      -8.27035000      -1.85721931       0.57342763      -1.55344814
Zn      -0.10962000       0.12630000     -10.86207000       0.45384320       0.25837229      -0.79470731
Zn      -1.98233000       1.15748000     -13.62315000       1.68972033       0.61411142      -0.47829743
Zn      -2.84548000       0.12280000     -16.42882000       0.26483735      -0.22514056      -0.38545969
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.28186038 magmom=1.9997659 free_energy=-65.28186039 stress="0.025781289611737666 0.011326259617331698 0.010399436287917153 0.011326259617331698 -0.009652470501209801 -0.003152639512039496 0.010399436287917153 -0.003152639512039496 0.024405027480975214" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.65865000       2.27367000      -5.67129000      -0.72795493       0.15786639       1.14679555
O       -1.23775000       2.72710000      -1.81776000       0.45742168       0.66960456       0.32559605
O        0.06402000       1.48826000      -4.56818000      -0.56499718      -0.42006338       0.32731977
O       -1.70589000       0.41836000      -6.22379000       0.74506531       0.06593397       1.07793243
O       -1.86812000       2.15039000      -7.63959000       1.12456731       1.65107549      -1.28707019
O       -1.80705000       1.01971000     -10.18141000       0.36940420      -0.29154901      -0.44431404
O       -0.43555000       0.23301000     -12.87933000       0.47795674       0.77119556       0.23221225
O       -1.17416000       1.01592000     -15.55956000      -1.05454805       0.56724870      -0.58738981
Zn       0.45124000       1.91232000      -2.63936000      -0.65753280      -0.58684331       0.33472553
Zn      -1.77036000       0.39146000      -8.30658000      -0.33837119      -0.78746970      -0.39893810
Zn      -0.11709000       0.09021000     -10.92370000      -0.55615333      -0.01181553      -0.04024681
Zn      -2.01513000       1.27006000     -13.61476000       0.22262631      -1.11512077      -0.80117372
Zn      -2.86425000       0.19079000     -16.46713000       0.50251593      -0.67006296       0.11455110
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.83727141 magmom=1.9997404 free_energy=-64.83731037 stress="-0.006892129255066958 -0.005919253025465194 0.006382962038787978 -0.005919253025465194 0.02482956651816349 0.007540110311912997 0.006382962038787978 0.007540110311912997 0.006196097534517214" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.61334000       2.25136000      -5.60110000       1.79688193      -0.57698069       0.34201577
O       -2.77229000       0.02374000      -1.62451000       0.10776902       0.04059892      -1.84033892
O        0.16111000       1.37585000      -4.55961000      -0.55994685      -0.15672639       1.65726815
O       -1.52458000       0.31422000      -6.11307000      -1.55049531       1.67841574       0.13906803
O       -1.63790000       2.33819000      -7.57657000      -2.11756264      -1.88864105      -0.64360250
O       -1.87666000       0.88416000     -10.15705000       0.72415501       0.57192318      -1.18424339
O       -0.57462000       0.30405000     -12.83064000       0.75151508       0.19723011      -0.68927858
O       -1.38293000       1.09293000     -15.59444000       0.20032803       0.49212119      -0.04570697
Zn       0.52547000       1.92685000      -2.59920000      -0.41845587      -0.38537890       0.48350811
Zn      -1.87248000       0.31214000      -8.36803000       2.56976422       1.39108096       0.53476586
Zn      -0.15328000       0.05415000     -10.99272000      -0.68175446      -0.42361299       0.83575054
Zn      -2.02929000       1.33654000     -13.65167000      -0.20530432      -0.53231730      -0.76050565
Zn      -2.86072000       0.22599000     -16.49225000      -0.61689384      -0.40771279       1.17129955
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26521582 magmom=2.0000789 free_energy=-65.26529139 stress="0.020777718977935046 -0.002365927420727971 0.007176493503106296 -0.002365927420727971 0.0005735016152845863 -0.007487704335624269 0.007176493503106296 -0.007487704335624269 0.02807077397468413" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.49940000       2.21497000      -5.52426000      -1.11303065       1.58758151       1.97675463
O       -2.67308000       0.12761000      -1.76945000      -0.16854743      -0.65637667       0.84735003
O        0.14443000       1.25008000      -4.28816000      -0.48480807       0.59721546      -1.20562105
O       -1.55880000       0.45714000      -5.87078000       0.92886264      -2.11359099      -1.55559876
O       -1.75879000       2.17127000      -7.62724000       0.04637411       0.13932846      -0.52758696
O       -1.80664000       0.85729000     -10.33703000      -0.48991934       0.23872083       0.50936875
O       -0.53119000       0.44004000     -12.91577000       0.88471056      -0.27500015      -0.71079472
O       -1.55922000       1.29478000     -15.65329000       0.63957978      -0.02997069      -0.03059198
Zn       0.57624000       1.92268000      -2.52702000      -0.02153489       0.65762895       0.44000623
Zn      -1.85364000       0.30042000      -8.40890000       0.55720459       0.39187746       0.68738132
Zn      -0.22565000      -0.00638000     -11.02722000       0.32559087      -0.39292189      -0.06546919
Zn      -2.05510000       1.36952000     -13.73139000      -0.39596329       0.00347078       0.29102541
Zn      -2.88963000       0.23351000     -16.46902000      -0.70851887      -0.14796304      -0.65622371
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.04936998 magmom=2.0008107 free_energy=-65.05317987 stress="0.018323119710323514 -0.00085810938204398 0.008931990695791333 -0.00085810938204398 -0.016620641903202588 0.002847897292198461 0.008931990695791333 0.002847897292198461 0.020189072453103668" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.43937000       2.23110000      -5.36589000      -1.00440393      -0.57567353       1.10445351
O       -2.61383000       0.09817000      -1.78231000      -0.16986313      -0.16013724       0.97531730
O        0.03468000       1.25772000      -4.26017000       0.43033697       0.43364705      -0.18269768
O       -1.47876000       0.34029000      -5.84988000       0.00412199       0.36782983      -0.97277705
O       -1.98151000       2.00723000      -7.67415000       0.93446798       1.44304263      -0.73771958
O       -1.82404000       0.87957000     -10.42225000      -0.54744090      -0.49436242       0.40910098
O       -0.34043000       0.50254000     -13.12011000      -1.03533342      -0.81227064       1.02592316
O       -1.60634000       1.42181000     -15.70523000       0.10420456      -1.70645668      -0.08532738
Zn       0.62016000       1.94699000      -2.43797000      -0.15660516       0.07138067      -0.30549582
Zn      -1.77980000       0.31646000      -8.43073000      -0.31579980      -0.82693111       0.44161934
Zn      -0.27888000      -0.08020000     -11.06335000       0.52237593       0.41967047      -0.87556424
Zn      -2.09067000       1.39945000     -13.79627000       1.24453407       0.39810380      -0.00300399
Zn      -2.94994000       0.24646000     -16.47493000      -0.01059518       1.44215717      -0.79382855
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35001218 magmom=2.0046708 free_energy=-65.3550572 stress="0.012120922486250775 -0.002077579935187131 -0.021357792833672586 -0.002077579935187131 0.008643846633515926 -0.0016936091406983037 -0.021357792833672586 -0.0016936091406983037 0.0010747284772762552" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.44147000       2.23192000      -5.19064000      -0.94719599      -0.29963972      -1.27254857
O       -2.59098000       0.02167000      -1.61506000       0.02761748       0.40706760      -0.85279477
O        0.00933000       1.33716000      -4.29520000       1.64261816      -0.49802609       2.26829472
O       -1.44545000       0.25014000      -5.90293000      -0.51377146       1.13770802      -0.18726694
O       -1.92176000       2.12594000      -7.82793000       1.53756564      -0.03961302      -0.49248450
O       -1.96419000       0.80453000     -10.41071000       0.35854225      -0.20520973      -0.22443433
O       -0.33115000       0.40706000     -13.13060000      -0.37740510       0.54402186       0.50245808
O       -1.57816000       1.24021000     -15.79800000       1.14959888       0.53812300       0.36933573
Zn       0.65467000       1.97843000      -2.35880000      -0.48732477      -0.75638653      -0.54199702
Zn      -1.73329000       0.29978000      -8.43108000      -1.47551406       0.47945310       0.04659529
Zn       1.29757000       2.65415000     -11.16338000      -0.25382209       0.21274501       0.03945517
Zn      -2.06702000       1.44276000     -13.85443000       0.66590881      -1.00181958      -0.22504031
Zn       0.19100000       0.32802000     -16.51059000      -1.32681776      -0.51842393       0.57042743
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.03879235 magmom=2.1040596 free_energy=-65.05058108 stress="-0.010862311572933922 -0.01766724115963333 0.016803882306406955 -0.01766724115963333 0.027468242744689036 -0.010039281906365962 0.016803882306406955 -0.010039281906365962 -0.01452820814372977" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48144000       2.21619000      -5.10583000      -0.18726948       0.15551325       0.57975105
O       -2.56452000       0.02866000      -1.59238000      -0.15908091       0.33940588       0.43492759
O        0.21332000       1.35704000      -4.00765000      -0.75110638      -0.21178754      -1.59640570
O       -1.55469000       0.36794000      -5.81636000       0.89747774       0.10887604      -0.43773848
O       -1.56217000       2.25220000      -8.08080000      -3.72371958      -2.01881153       0.74123633
O       -2.03548000       0.66517000     -10.45410000       0.81981023       0.46744406      -0.39652521
O       -0.44810000       0.38426000     -13.06220000       0.30655143       0.60789512      -1.17679308
O       -1.39140000       1.11755000     -15.83731000      -2.61126711       1.55197955       1.50767619
Zn       0.67031000       1.97462000      -2.28927000       0.06155748      -0.25723286       0.39902710
Zn      -1.73464000       0.30568000      -8.42902000       3.45235213       2.23815874      -0.65075313
Zn       1.25578000       2.60378000     -11.24627000      -0.55587387      -0.49449313       1.17257043
Zn      -1.99192000       1.44381000     -13.92699000       0.16152042      -0.99089486       0.15534709
Zn       0.05790000       0.39117000     -16.52589000       2.28904790      -1.49605273      -0.73232016
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.0986642 magmom=2.4002408 free_energy=-65.11179251 stress="0.01852373102609687 0.0132402669497248 0.0150155488462861 0.0132402669497248 -0.011418443249324938 -0.015440023396202087 0.0150155488462861 -0.015440023396202087 -0.047462710903888886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.52826000       2.21057000      -5.03495000       1.08307522       1.87326154       0.37153534
O       -2.56070000       0.09724000      -1.55863000       0.05902281      -0.35913360       0.05377740
O        0.28794000       1.35058000      -4.02704000      -1.55165092       0.20893906       0.62487629
O       -1.53166000       0.49737000      -5.67732000       0.59542541      -1.82801991      -1.63213016
O       -1.70827000       2.12749000      -8.18562000       0.46069989       2.27362812       0.51434906
O       -1.95450000       0.62267000     -10.59853000      -0.62333157       0.39183387       0.00315741
O       -0.46786000       0.47567000     -13.20187000       1.41053129      -0.79791619       0.43506148
O       -1.58284000       1.27150000     -15.74033000       0.24058646       0.06264094      -2.80109746
Zn       0.68448000       1.95574000      -2.20196000      -0.24887656       0.01880666      -0.74235124
Zn      -1.62324000       0.38706000      -8.45596000      -0.66157418      -1.92088193      -0.51327650
Zn       1.19136000       2.53179000     -11.27178000       0.74382516      -0.20977867      -0.08254210
Zn      -1.91953000       1.39461000     -13.96860000      -1.35538888       0.39838257       2.36545584
Zn       0.00438000       0.38834000     -16.54159000      -0.15234414      -0.11176246       1.40318465
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.98359077 magmom=2.3148648 free_energy=-64.9935649 stress="-0.0004481821109344701 0.004547217563543167 -0.006159512454421155 0.004547217563543167 -0.04596865440666902 0.009480572268253136 -0.006159512454421155 0.009480572268253136 -0.01610436157601433" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.53325000       2.26641000      -4.96773000       1.24188777       0.19163438      -0.76584683
O       -2.54381000       0.09687000      -1.56611000      -0.00132230      -0.36204143      -0.49932386
O        0.10602000       1.40523000      -4.08278000       0.22382530      -0.14771418       1.30435733
O       -1.38187000       0.41172000      -5.69706000      -1.25014009       0.32859933      -0.64030318
O       -1.76820000       2.23849000      -8.13133000       2.45268364      -0.57059315       0.08970029
O       -1.97852000       0.65615000     -10.75782000      -0.33957407      -0.68723095       0.60784057
O       -0.23108000       0.43220000     -13.32265000      -0.72355116      -0.29152967       0.30478130
O       -1.80790000       1.44701000     -16.02304000       0.90759396      -1.89283007       1.79792165
Zn       0.68924000       1.94047000      -2.13199000      -0.31234126       0.01872033      -0.98601747
Zn      -1.54201000       0.43031000      -8.52002000      -2.64228458       0.77513613      -0.34949811
Zn       1.16146000       2.44909000     -11.29265000       0.71224242       0.94952633      -0.32240165
Zn      -1.90052000       1.35348000     -13.91212000       0.66905387      -0.09710526      -0.49938368
Zn      -0.04534000       0.37980000     -16.49185000      -0.93807351       1.78542821      -0.04182636
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.84429579 magmom=2.1816053 free_energy=-64.85395516 stress="-0.01159286483079856 -0.03122903177492178 -0.0027033539022915695 -0.03122903177492178 -0.017702045824285192 0.0010629299153982513 -0.0027033539022915695 0.0010629299153982513 -0.0007629845886713867" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48697000       2.33934000      -4.97023000       0.08772210      -0.28681128      -0.45246113
O       -2.53557000       0.02564000      -1.69456000      -0.46630110       0.47183524       1.17227666
O       -0.04094000       1.45048000      -3.96508000       1.17601820      -0.42738273      -0.33156132
O       -1.39949000       0.36612000      -5.73024000      -1.03853149       0.90344567       0.09564801
O       -1.38793000       2.34648000      -8.05453000      -2.23602111      -0.95123412      -0.42506125
O       -2.07663000       0.56669000     -10.79688000       0.86345076       0.06941782       0.60721745
O       -0.12307000       0.30186000     -13.36468000      -1.20244994       0.65411773       0.46547567
O       -1.80093000       1.32472000     -16.04030000       0.70831993       0.47338252       1.41206638
Zn       0.68110000       1.92392000      -2.10555000      -0.07285774      -0.48846891      -0.93483916
Zn      -1.57760000       0.48851000      -8.60382000       1.86895152       0.93017148       0.14893970
Zn       1.17140000       2.40983000     -11.32964000      -0.22726055       0.37812728      -0.03949242
Zn      -1.85070000       1.30713000     -13.86697000       0.95963600      -1.03538008      -0.95364172
Zn      -0.15711000       0.44056000     -16.42463000      -0.42067657      -0.69122064      -0.76456687
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95694642 magmom=2.1898908 free_energy=-64.96593647 stress="-0.007888198545606939 0.0005817385286365053 0.008968399965058334 0.0005817385286365053 -0.0035085154014999845 -0.008332964516317577 0.008968399965058334 -0.008332964516317577 -0.027305492441997817" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.42712000       2.40768000      -5.02028000      -2.03655097      -0.76734351       0.77454931
O       -2.61306000       0.03347000      -1.60407000       0.05453893       0.03126112       1.56620995
O       -0.00975000       1.41986000      -3.99208000       0.54289245       0.21886076       0.10477616
O       -1.60115000       0.48328000      -5.64561000       1.75293625       0.79928722      -1.27548832
O       -1.38756000       2.30829000      -8.05507000      -0.79708015       1.11707481      -0.30461876
O       -2.00769000       0.46433000     -10.69228000       0.07030137       0.75975337       0.05923520
O       -0.26724000       0.27151000     -13.29045000       1.25639811      -0.37792001       0.86973836
O       -1.74827000       1.27247000     -15.72504000      -1.64868010       1.02942814      -1.53246729
Zn       0.66479000       1.88374000      -2.12010000      -0.68127010      -0.03253851      -1.12140578
Zn      -1.53665000       0.59061000      -8.69016000       0.36824955      -1.17208870       0.49821924
Zn       1.17704000       2.39445000     -11.37444000       0.36773215      -0.31169321       0.22728167
Zn      -1.74495000       1.20498000     -13.86579000      -1.27670975       0.02439385       0.91723821
Zn      -0.27463000       0.47335000     -16.39733000       2.02724225      -1.31847533      -0.78326794
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.02871907 magmom=2.1054646 free_energy=-65.04070364 stress="0.02363930967928402 0.0023085000816908687 0.007659581615834798 0.0023085000816908687 0.004682032044790651 -0.007146751931932822 0.007659581615834798 -0.007146751931932822 -0.05285018086690084" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.43754000       2.44852000      -5.06138000      -1.19149440       0.44080495       0.51818779
O       -2.69142000       0.05014000      -1.27262000       0.36862479      -0.61497886      -2.25719263
O        0.08317000       1.44152000      -4.06188000       0.14725529       1.09257077       1.15571993
O       -1.58806000       0.69108000      -5.66485000       1.24964748      -1.31878836      -1.56002689
O       -1.65499000       2.42895000      -8.07879000       0.87314044       0.22158770      -0.17558226
O       -1.90737000       0.52393000     -10.60058000      -0.56728579       0.36887281      -0.91036249
O       -0.18926000       0.21622000     -13.08773000       0.82440785       0.14951254      -1.40958533
O       -2.00284000       1.42838000     -15.70083000       0.72425207      -0.60895820       0.41727379
Zn       0.61928000       1.84001000      -2.18148000      -0.22620420       0.14334344       0.12718390
Zn      -1.45118000       0.65315000      -8.75195000      -0.91290528      -0.17368576       1.35391542
Zn       1.19880000       2.36084000     -11.39485000       0.49561770      -0.53989379       2.10102277
Zn      -1.69207000       1.08839000     -13.82349000      -0.76277774       0.19629339      -0.28657021
Zn      -0.30359000       0.44329000     -16.39484000      -1.02227820       0.64331938       0.92601620
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33235448 magmom=2.147009 free_energy=-65.34466119 stress="0.0297979988287194 -0.011076248629279712 -0.006155352632143464 -0.011076248629279712 0.006943708824339874 0.01099141908662159 -0.006155352632143464 0.01099141908662159 -0.020084650725918272" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.49511000       2.49360000      -5.09505000       0.77889477       0.60147322       0.15012579
O       -1.09849000       2.74459000      -1.40417000      -0.17929637       0.09439682      -0.49066839
O        0.15925000       1.63192000      -4.04136000      -0.12087120      -0.19827131      -1.12799131
O       -1.38725000       0.70288000      -5.82188000      -0.69192730      -0.41265214      -0.02900947
O       -1.63743000       2.57903000      -8.08548000       1.56208428      -0.76616284      -0.42312927
O       -1.91980000       0.62064000     -10.67097000       0.13940411      -1.51366790       0.45443375
O        0.03525000       0.14790000     -13.13516000      -1.66471573      -0.64244203       0.12183088
O       -2.09975000       1.44421000     -15.71174000       0.96628423      -0.74468342       0.71299335
Zn       0.56918000       1.81244000      -2.21532000       0.01666428       0.03986855       1.14285985
Zn      -1.44226000       0.69525000      -8.75014000      -1.67660852       0.69616701       0.97200636
Zn       1.24362000       2.31981000     -11.32248000       0.26394270       1.86506090      -0.09350327
Zn      -1.68463000       1.00420000     -13.78287000       1.17144377       0.65470443      -0.84559728
Zn      -0.36703000       0.44420000     -16.35501000      -0.56529901       0.32620871      -0.54435100
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.05996662 magmom=2.114828 free_energy=-65.06996866 stress="-0.01694398020640497 -0.015606983790285503 0.006727879030351659 -0.015606983790285503 -0.007645381414867792 0.005183464782960838 0.006727879030351659 0.005183464782960838 -0.019811469614474105" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.51902000       2.56143000      -5.15400000       2.64489762       0.27449888      -0.51709963
O       -1.11721000       2.67290000      -1.70406000      -0.17797495       0.73295090       1.39075811
O        0.22379000       1.78973000      -4.23259000      -0.67637394      -1.36374963       1.36031649
O       -1.29374000       0.66494000      -5.87189000      -1.79127686       1.12358702      -0.80687193
O       -1.31934000       2.55757000      -8.14893000      -1.77851669      -0.25278245      -0.07328150
O       -1.90775000       0.47477000     -10.69101000       0.42629793       0.56214378       0.24844643
O       -0.04146000      -0.00276000     -13.22552000      -0.14252489       0.43110043       0.67670936
O       -2.00333000       1.30242000     -15.64072000      -0.66249039       0.43752212      -1.50854841
Zn       0.51972000       1.78502000      -2.19072000      -0.33697163      -0.47747198      -0.97990420
Zn      -1.51432000       0.76902000      -8.69540000       1.40750500       0.01219156       0.58158308
Zn       1.30101000       2.35521000     -11.23770000       0.12934050      -0.02523163      -0.44059224
Zn      -1.62966000       0.94903000     -13.77375000      -0.13777618      -0.56949318       0.53535835
Zn      -0.45857000       0.46439000     -16.32381000       1.09586447      -0.88526581      -0.46687390
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.24925037 magmom=2.1226486 free_energy=-65.25900278 stress="-0.017446902087512973 -0.0001530051036929973 0.010265954587320865 -0.0001530051036929973 -0.035645411734621164 -0.012586756876985633 0.010265954587320865 -0.012586756876985633 0.0026052325479046217" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.44670000       2.64105000      -5.26880000       0.41487299       0.29348776       0.61229509
O       -1.18197000       2.72952000      -1.73284000      -0.23029458      -0.60041854       1.12377037
O        0.23736000       1.73001000      -4.28777000      -0.37684744       0.03560769       0.45563253
O       -1.43267000       0.80709000      -5.91926000       0.13001627      -0.33427809      -0.88841488
O       -1.36808000       2.53807000      -8.21106000      -1.04455871       1.90511111       0.45034719
O       -1.81267000       0.42120000     -10.65024000      -0.19895874       1.35923266       0.24403293
O        1.43536000       2.68033000     -13.19975000       1.44290315       0.05773283       0.23464398
O       -2.05667000       1.26518000     -15.83609000      -0.35903588       0.57850075       0.86002211
Zn       0.45547000       1.74087000      -2.20160000      -0.21686503       0.76755301      -1.10044699
Zn      -1.51850000       0.82781000      -8.60744000       0.65960388      -2.11171525       0.02786275
Zn       1.36963000       2.39948000     -11.17719000       0.57638465      -0.87844585      -0.17438454
Zn      -1.58227000       0.87794000     -13.74833000      -1.77087542       0.07254011      -0.75265803
Zn      -0.48491000       0.43208000     -16.32139000       0.97365485      -1.14490819      -1.09270250
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.15456149 magmom=2.1263604 free_energy=-65.16362204 stress="-0.010031183866592096 -0.0015706073833130297 0.0011111558906102845 -0.0015706073833130297 -0.02427129469694981 0.0017951386586604224 0.0011111558906102845 0.0017951386586604224 0.012051981329223502" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.34277000       2.74055000      -5.38794000      -1.62362646      -0.46805592       1.43785672
O       -1.30529000       2.70127000      -1.54299000       0.02675249      -0.11614874      -0.52669509
O        0.17640000       1.65343000      -4.30108000      -0.09991429       1.03938447       0.12962014
O       -1.55575000       0.94079000      -6.04187000       1.73659174      -0.51805782      -1.05859520
O       -0.05631000      -0.01038000      -8.12334000       3.84580863      -2.23347143       0.70289785
O       -1.72104000       0.64334000     -10.55889000      -0.00823128      -0.97993852       0.26872238
O       -1.63734000       2.61605000     -13.11900000      -0.00867675       0.43104846      -0.42167918
O       -2.18364000       1.33854000     -15.89224000       1.15829095      -1.19776179       1.75096476
Zn       0.37025000       1.72479000      -2.26281000      -0.31093095       0.25698802      -0.31990545
Zn      -1.48409000       0.81878000      -8.51010000      -3.85580586       2.05841972      -0.42344337
Zn      -1.74256000       2.40206000     -11.12093000       0.14672062       1.26725391      -0.18345749
Zn      -1.61763000       0.78984000     -13.75017000      -0.36304502      -0.14191319      -0.50174383
Zn      -0.46223000       0.33368000     -16.37842000      -0.64393383       0.60225282      -0.85454223
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.84950045 magmom=2.0259418 free_energy=-65.85610833 stress="0.015072977346243898 -0.03318076180231328 0.013575010231481218 -0.03318076180231328 0.010700003443715212 0.002431196648004415 0.013575010231481218 0.002431196648004415 0.020697714003242558" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.91265000       0.02965000      -5.42927000      -1.44008141      -0.65106438       0.25497610
O       -1.40747000       2.63794000      -1.51081000       0.19287351       0.32255433      -0.95687480
O        0.08572000       1.73770000      -4.35636000       0.61002537       0.63742464       0.52504230
O       -1.43915000       0.94446000      -6.16133000       0.81779019      -0.13931602       0.35599171
O       -1.45838000       2.72144000      -7.95373000      -1.29977946      -0.30016524      -0.21121801
O       -1.64200000       0.68306000     -10.42231000       0.16295110      -0.51980849      -0.00287577
O       -1.52724000       2.61522000     -13.09132000      -1.48525021      -0.52510196       0.65469840
O       -2.07209000       1.20311000     -15.63880000       0.25470402      -0.39147673      -0.94759873
Zn       0.27961000       1.72732000      -2.32660000      -0.39416597      -0.15499038      -0.44126583
Zn      -1.57187000       0.86436000      -8.44120000       1.30144204       0.26712551       0.27816430
Zn      -1.64060000       2.46536000     -11.08224000       0.00199306       0.75068953      -0.54654915
Zn      -1.66495000       0.71422000     -13.78090000       1.21282722       0.63198858       0.05965398
Zn      -0.47048000       0.26572000     -16.45756000       0.06467054       0.07214061       0.97785550
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.82023064 magmom=1.9999528 free_energy=-65.8207494 stress="0.009125957544368133 -0.007513147410670293 0.0018190562464609897 -0.007513147410670293 0.010726430255497583 0.0006261129122575198 0.0018190562464609897 0.0006261129122575198 0.02010851544189503" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.94262000       0.06197000      -5.50010000       0.32155780      -1.29490091       0.94888576
O       -1.45608000       2.65396000      -1.67136000      -0.14984929       0.34439482       0.53272081
O        0.10691000       1.89425000      -4.37420000       0.75640207      -0.11652150      -0.07836589
O       -1.28271000       0.90603000      -6.05369000      -1.38472109       0.78979420      -0.38573274
O       -1.39832000       2.62328000      -7.71418000      -0.53773538       1.34338689       0.04587013
O       -1.55027000       0.60113000     -10.31139000      -0.08499581       0.62359078      -0.37283764
O       -1.68133000       2.54724000     -13.00896000       0.04888882       0.05254214      -0.64096954
O       -1.94366000       1.00867000     -15.64911000      -0.89899170       0.52486272      -0.98968134
Zn       0.18955000       1.72284000      -2.39060000      -0.19999444       0.00350220      -0.55109603
Zn      -1.61116000       0.91684000      -8.39179000       0.79862812      -0.92625018       0.26201832
Zn      -1.55986000       2.55438000     -11.07434000       0.06518728      -0.45598316       0.33999275
Zn      -1.65482000       0.67543000     -13.78234000      -0.08891064       0.00284376       1.05248563
Zn      -0.47059000       0.21723000     -16.47918000       1.35453426      -0.89126176      -0.16329021
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.70547021 magmom=1.9985179 free_energy=-65.70593696 stress="0.0011801511240726252 0.0019978901504639907 0.0070289610357544925 0.0019978901504639907 -0.0037759114828296966 0.0008638114063285675 0.0070289610357544925 0.0008638114063285675 0.03244330482368752" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.96227000       0.02504000      -5.53635000      -0.45930032       0.49965288       2.72051127
O       -1.52723000       2.72931000      -1.74189000      -0.16543486      -0.37143876       0.16254515
O        0.26347000       2.00689000      -4.43227000      -0.31398644      -0.52754783       0.08370352
O       -1.37457000       0.98258000      -5.91296000       0.18752047      -0.24106174      -1.18291244
O       -3.10163000      -0.02274000      -7.46102000       0.00033658       0.08106841      -2.72303933
O       -1.48423000       0.65839000     -10.28231000      -0.15076515       0.60243470      -0.23634073
O        1.40246000       2.48537000     -13.02226000       1.08303343      -0.01941542       0.18900682
O       -2.00424000       0.94983000     -15.86060000       0.34193003       0.40022990       1.53766688
Zn       0.09795000       1.72168000      -2.47226000       0.00217999       0.58643827      -0.21711696
Zn      -1.59379000       0.92735000      -8.33353000       0.47128186      -0.02881669       1.35016776
Zn      -1.48525000       2.61161000     -11.05685000      -0.06107695      -0.48358967       0.12601449
Zn      -1.64965000       0.64609000     -13.73732000      -1.15309823       0.31086647      -1.11120785
Zn      -0.40304000       0.12707000     -16.50107000       0.21737961      -0.80882054      -0.69899858
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.86372337 magmom=2.0003008 free_energy=-65.86393951 stress="0.003309654710447764 -0.004260211059996514 0.012970759353374783 -0.004260211059996514 -0.00999920093204246 0.001877034361229396 0.012970759353374783 0.001877034361229396 0.0282512586018132" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.00324000       0.00967000      -5.45036000      -0.27641534       1.86138107      -0.04400201
O        1.57378000       2.74595000      -1.81222000       0.09276480      -0.16897542      -0.24066889
O        0.33811000       2.01833000      -4.48583000      -1.64547595      -0.67500757       1.21822595
O       -1.46796000       1.02684000      -5.96240000       1.08822152      -0.94217333      -0.97913717
O        0.01862000       0.17237000      -7.58450000       1.31055275      -1.40597346      -0.13904580
O       -1.44355000       0.85768000     -10.26991000       0.01460773      -0.44814158       0.07118914
O       -1.73029000       2.42933000     -13.02785000       0.17176119       0.74006594       0.09146766
O       -2.02629000       0.97944000     -15.78519000       0.74204101      -0.64802816       0.25134624
Zn      -0.00360000       1.75241000      -2.56408000      -0.07985667       0.36748774       0.47492848
Zn      -1.54833000       0.93436000      -8.22368000      -0.62141503       0.93505467      -0.71528858
Zn      -1.40761000       2.64802000     -11.03252000      -0.29251007       0.39838154       0.11644750
Zn      -1.70435000       0.62565000     -13.74027000      -0.17118758      -0.28593572      -0.51195057
Zn      -0.30610000      -0.02034000     -16.55563000      -0.33308837       0.27186428       0.40648806
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.8156004 magmom=2.0119476 free_energy=-65.82042076 stress="0.0007711389830311522 -0.014111828862357595 0.0038883404670387264 -0.014111828862357595 0.0012888785875360591 0.01506025343694742 0.0038883404670387264 0.01506025343694742 -0.0003598490157172065" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.06899000       0.08144000      -5.37222000       0.63594107      -0.67555818      -0.43827383
O        1.46700000       2.71873000      -1.91897000       0.20545814       0.31538821       1.08309660
O        0.12967000       1.91915000      -4.42713000       0.32969806       0.10758868      -1.23684904
O       -1.39520000       0.94703000      -6.08424000      -1.07815618       0.71950181       0.58550159
O       -3.07191000       0.08027000      -7.76865000      -0.54235788      -0.44131110      -0.06644803
O       -1.39774000       0.97302000     -10.22889000       0.04836197      -0.96946783       0.06802263
O       -1.60092000       2.50258000     -12.99322000      -1.20973575      -0.40192433       0.32432447
O       -1.87233000       0.88788000     -15.66812000       0.18504026      -0.67348389      -1.73374551
Zn      -0.12439000       1.80608000      -2.62671000      -0.35519517      -0.28826365       1.86572002
Zn      -1.51605000       0.99092000      -8.14282000       0.80346786       0.26648752      -1.49496141
Zn      -2.93895000      -0.07727000     -10.98343000      -0.33714834       0.80100365       0.05026778
Zn      -1.77420000       0.59690000     -13.77149000       1.29199354       0.66792720       0.44191123
Zn       1.38399000       2.61384000     -16.61512000       0.02263243       0.57211190       0.55143350
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.84311996 magmom=2.0060225 free_energy=-65.84670551 stress="-0.0073019099256101195 -0.0075998692166161464 -0.0028890423252392523 -0.0075998692166161464 -0.019969349336794416 -0.00836596338130763 -0.0028890423252392523 -0.00836596338130763 0.02002096734752204" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.10734000       0.12160000      -5.39261000      -0.39796022      -1.75959976      -0.54582312
O        1.39579000       2.75226000      -1.86656000      -0.18624377       0.15992964      -0.10902728
O       -0.01949000       1.85134000      -4.53238000       0.94516706       1.17355048       1.93917113
O       -1.50444000       0.96812000      -5.96540000      -0.41491620       0.48600224      -1.42228891
O       -2.99094000      -0.00806000      -7.79206000      -0.63809247       1.95558170       0.72921470
O       -1.33556000       0.89686000     -10.19476000       0.18355964       0.33698005      -0.49338040
O        1.51329000       2.52705000     -12.94096000      -0.29793277      -0.18803765      -0.65291112
O       -1.67809000       0.64110000     -15.87493000      -0.50631317       0.07381005       0.67088316
Zn      -0.25624000       1.84594000      -2.59644000       0.34118358      -0.22012796       0.48257874
Zn      -1.45935000       1.03757000      -8.16403000       0.49791113      -1.94700962      -1.10806085
Zn      -2.89055000       0.02197000     -10.94738000      -0.51660350      -0.44278632       0.18136189
Zn      -1.78139000       0.59892000     -13.77974000       0.59708485       0.36949808       0.07591208
Zn       1.47141000       2.49383000     -16.61601000       0.39315586       0.00220908       0.25236997
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.69776494 magmom=2.0000128 free_energy=-65.697799 stress="-0.029452841557778896 0.007259007464603244 -0.003072465473589315 0.007259007464603244 0.015006029745955959 -0.007393245442618808 -0.003072465473589315 -0.007393245442618808 0.03285754141994281" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05405000       0.09207000      -5.47600000      -1.15366167       0.64921380       1.26579659
O       -0.30710000       0.02969000      -1.82031000      -0.09937579      -0.19537925      -0.04829675
O       -0.00266000       1.95609000      -4.41833000      -0.10269752       0.08151873      -0.63315186
O       -1.66213000       1.05775000      -5.95493000       1.83476627      -0.30679884      -0.82956993
O        0.15547000       0.21595000      -7.57722000       0.48592702      -1.43069359      -0.43283665
O       -1.25183000       0.88746000     -10.25503000      -0.47564760       0.90656091       0.12142956
O        1.34879000       2.49106000     -13.01290000       1.04604413      -0.02858856       0.13851564
O       -1.61407000       0.43462000     -15.98067000      -0.54913375       0.93870288       1.57636240
Zn      -0.36769000       1.87242000      -2.52272000       0.39097529       0.00731057       0.45067491
Zn      -1.37950000       1.00508000      -8.25691000      -0.99815596       0.87687967       0.10442400
Zn      -2.86962000       0.09492000     -10.90908000      -0.05547816      -1.03131003      -1.02303098
Zn      -1.75498000       0.62385000     -13.77875000      -0.50587984       0.09574027      -0.43187054
Zn      -1.63651000       2.36881000     -16.60112000       0.18231756      -0.56315656      -0.25844640
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.56046258 magmom=2.0002068 free_energy=-65.5604958 stress="0.010285571095009204 0.007241957371844831 -0.015090161094678733 0.007241957371844831 0.0018491467928927106 0.0006495290509734044 -0.015090161094678733 0.0006495290509734044 0.03414275975559161" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03892000       0.09024000      -5.50392000       1.65688660       1.12530074       1.56460244
O       -0.42015000       0.04998000      -1.79357000       0.24045855      -0.24104949       0.86873804
O        0.00306000       2.08783000      -4.41709000      -0.31103942      -0.53886766       0.11417114
O       -1.54382000       1.07849000      -6.03140000      -1.08624526      -0.53253127       0.04637424
O       -3.07003000       0.15738000      -7.46913000       0.27120003      -0.66002680      -2.60493888
O       -1.25888000       1.06093000     -10.29079000      -0.16430368      -0.24041562       0.04737490
O        1.40463000       2.46618000     -13.05433000       0.61395115       0.55125623       0.69498446
O       -1.65891000       0.43376000     -15.76506000       0.40477442       0.10278459      -0.61093872
Zn      -0.44978000       1.89712000      -2.43497000       0.45657238       0.03301606      -1.04502547
Zn      -1.34549000       1.01033000      -8.34148000      -0.72418330       0.47533905       1.56324122
Zn      -2.85861000       0.11061000     -10.92976000      -0.32098873      -0.09879394      -1.36550084
Zn      -1.75171000       0.65038000     -13.79689000      -0.18804516      -0.31992729       0.31458297
Zn      -1.53010000       2.23217000     -16.59245000      -0.84903758       0.34391540       0.41233451
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.46297878 magmom=1.9997551 free_energy=-65.46516706 stress="0.03170146705463648 -0.005152342271651752 -0.005037590228953615 -0.005152342271651752 -0.010186627028579845 0.015658253836879358 -0.005037590228953615 0.015658253836879358 0.009335943819059877" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04955000       0.14951000      -5.46687000       1.33022973      -0.31325588       0.68417933
O       -0.49458000       0.02074000      -1.59659000       0.32751126       0.14791653      -0.31412309
O       -0.05277000       2.11919000      -4.43103000      -0.24520636      -0.83230319       1.21017867
O       -1.57941000       1.03249000      -6.04635000      -0.98881554       0.69001577      -0.74460965
O       -3.00634000      -0.03504000      -7.77417000      -0.22641640       2.26962865       0.19372540
O       -1.32561000       1.19010000     -10.29708000       0.07352187      -1.40423030      -0.43128557
O       -1.59515000       2.53870000     -12.95499000      -0.83060595      -0.19810322      -0.63556473
O       -1.62237000       0.45966000     -15.67012000       0.10106732      -1.03263505      -1.01756602
Zn      -0.51529000       1.92579000      -2.38574000       0.49889211      -0.22419124      -1.09793074
Zn      -1.35504000       1.03889000      -8.36744000      -0.21824073      -1.86110566       0.24085960
Zn      -2.86251000       0.12469000     -11.04036000      -0.25261213       1.01151312       0.12163334
Zn      -1.75860000       0.66928000     -13.78955000       0.88238816       0.37576799       1.10755201
Zn      -1.45630000       2.09513000     -16.55512000      -0.45171334       1.37098247       0.68295145
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31832288 magmom=2.0752067 free_energy=-65.32809812 stress="-0.010320826240582228 -0.0313741438786572 0.008219862478971957 -0.0313741438786572 0.022808435515525905 0.004963290386817258 0.008219862478971957 0.004963290386817258 0.0005713382021159" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01619000       0.20457000      -5.40924000      -2.03974713      -0.66622690       2.08072168
O       -0.50630000       0.01306000      -1.45858000       0.24292981       0.05136068      -1.32172540
O       -0.17048000       1.97903000      -4.27097000       0.20803510       0.18204964      -0.97845098
O       -1.78139000       1.11822000      -6.06981000       2.13008511       0.44800015      -0.82410379
O       -2.98371000       0.13790000      -8.06599000      -0.46589670      -0.88182085       0.46672728
O       -1.38015000       1.05005000     -10.41080000       0.70102181       0.37771498      -0.40021887
O       -1.53773000       2.58617000     -12.99926000      -1.47608566      -0.72754849      -1.05534832
O       -1.54019000       0.25371000     -15.76508000       0.36724239      -0.02779324       1.64269800
Zn      -0.56571000       1.94806000      -2.37766000       0.38708632      -0.25774615       0.57548564
Zn      -1.38467000       0.99446000      -8.38682000       0.06399806       0.88263671      -0.55192417
Zn      -2.88723000       0.19353000     -11.16277000      -0.73102665      -0.43389712       1.70997131
Zn      -1.71023000       0.71341000     -13.72516000       1.51237412       0.35921369      -1.17089422
Zn      -1.39744000       2.00648000     -16.46552000      -0.90001657       0.69405692      -0.17293814
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.89846974 magmom=2.2483963 free_energy=-64.91287403 stress="-0.04883447537196768 0.015664892967585612 0.00168147041033143 0.015664892967585612 0.017901711982090108 -0.01928055468352519 0.00168147041033143 -0.01928055468352519 -0.0008982984031319602" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02236000       0.24065000      -5.28173000      -1.05654597      -0.44536135      -0.45968408
O       -0.48053000       0.02834000      -1.59959000      -0.46350085       0.21725232       0.39058108
O       -0.27205000       1.85642000      -4.29690000       0.63527974       1.53828545       0.99470583
O       -1.74143000       1.24214000      -6.06395000       0.45446002      -1.16113497      -0.34439456
O       -3.04171000       0.20776000      -8.19020000       0.39899089      -1.58314923       0.14306135
O       -1.31488000       0.96417000     -10.62388000      -0.81348275       1.26391756       0.40067643
O        1.47951000       2.54612000     -13.24300000       1.53468736       0.71312339       1.50903882
O       -1.38993000       0.00307000     -15.60371000      -0.46290699       0.85423460      -0.65159480
Zn      -0.59211000       1.95498000      -2.33961000       1.14872076      -0.59165625      -0.13473144
Zn      -1.41919000       0.97643000      -8.44847000      -0.47736247       1.62618510      -0.42692425
Zn      -2.94902000       0.24414000     -11.21224000       0.49107156      -1.50917007      -0.25013533
Zn      -1.59024000       0.76854000     -13.70833000      -1.01245992      -0.81290754      -1.05779265
Zn      -1.38077000       1.95596000     -16.36785000      -0.37695138      -0.10961903      -0.11280641
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.16104365 magmom=2.2185257 free_energy=-65.17323925 stress="0.0035330069335137316 0.0055833699255537165 -0.006958274571771857 0.0055833699255537165 -0.02129444887478413 -0.012730345865249067 -0.006958274571771857 -0.012730345865249067 -0.01523791796924965" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00911000       0.25567000      -5.19784000      -1.02087992      -0.44072178      -0.66282280
O       -0.53627000       0.08302000      -1.72550000       0.26856321      -0.26989316       1.14966010
O       -0.23792000       1.98662000      -4.27097000       0.95089060       0.71212670       0.79900969
O       -1.68524000       1.16872000      -5.96785000      -0.03313618      -0.40518476      -0.31666628
O       -3.06552000      -0.03535000      -8.23208000      -0.09653317       3.03538415       0.08532537
O       -1.38812000       1.15224000     -10.75935000      -0.12264451      -0.43112587       0.68245296
O       -1.61152000       2.60137000     -13.21122000       0.95405260       0.30295109       0.01713652
O       -1.34583000      -0.04747000     -15.58221000      -0.87739535       0.79486467      -0.77045809
Zn      -0.56077000       1.93284000      -2.28730000       0.34747757       0.03672488      -0.44527991
Zn      -1.46916000       1.03629000      -8.54610000       0.06880608      -2.76874309      -0.28000327
Zn      -2.99462000       0.21237000     -11.26226000       0.02608351      -0.01459944       0.47955444
Zn      -1.52149000       0.79012000     -13.74452000      -0.68459977      -0.39112782      -0.04677032
Zn      -1.38633000       1.89971000     -16.27244000       0.21931532      -0.16065557      -0.69113842
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.76390979 magmom=2.214694 free_energy=-64.77390848 stress="-0.018547028008162034 -0.03793593741846717 0.013005640570136076 -0.03793593741846717 -0.01525990121974947 0.03191536278595035 0.013005640570136076 0.03191536278595035 -0.0355279418517402" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07399000       0.24736000      -5.16531000       0.14451216      -0.48151290       0.94388910
O       -0.54088000       0.09020000      -1.64097000       1.00074078      -0.46252673       0.82734189
O       -0.04904000       2.25062000      -4.17051000      -0.62204402      -1.38141944       0.16637220
O       -1.69192000       1.01266000      -5.81279000       0.19409981       1.72668268      -1.53016279
O        0.10720000       0.15728000      -8.23897000      -0.39627327      -0.68698930       0.15670277
O       -1.54537000       1.22591000     -10.73705000       0.77676480      -1.42889148       0.50571698
O       -1.27487000       2.68263000     -13.18939000      -2.44982046      -1.26480642      -0.76295414
O       -1.46505000       0.06258000     -15.74269000       0.52009134      -0.65305556       0.87524183
Zn      -0.50364000       1.90721000      -2.24050000      -0.15705826       0.32499919      -0.26803467
Zn      -1.52119000       1.00625000      -8.67096000       0.33607390       0.80590494       0.15500808
Zn      -3.03352000       0.18540000     -11.28389000      -0.80620197       1.14401804       0.96397079
Zn      -1.47930000       0.80338000     -13.78992000       2.32014609       0.88614004      -0.23676726
Zn      -1.39075000       1.83738000     -16.20556000      -0.86103091       1.47145694      -1.79632480
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.06618233 magmom=2.1732363 free_energy=-65.07766577 stress="-0.021226601504782113 0.0005062912973945201 0.00943959863329445 0.0005062912973945201 0.018598308996121388 0.007885051239664176 0.00943959863329445 0.007885051239664176 -0.02996897680732903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12618000       0.22349000      -5.11232000       1.39277434       0.72125455      -0.05169540
O       -0.34640000      -0.00299000      -1.41165000      -0.15488886       0.05604398      -0.37236457
O        0.03003000       2.23865000      -4.11281000      -1.46006337      -1.14500996       0.53524213
O       -1.67917000       1.15237000      -5.81534000      -0.21008540       0.25857320      -0.58426978
O        0.01724000       0.29706000      -8.18316000       0.57813877      -1.35547952      -0.03086181
O       -1.52238000       1.01799000     -10.65630000       0.23066908       0.88450087      -1.43433958
O       -1.36712000       2.59914000     -13.32744000      -0.04149356       1.26383894       1.40375233
O       -1.49424000       0.05117000     -15.73045000       0.39965106      -0.13886396       0.92398836
Zn      -0.44988000       1.89608000      -2.19348000       0.98641990      -0.23388964       0.14962001
Zn      -1.56426000       0.99375000      -8.77762000      -0.56568141       1.25809039       2.10197275
Zn       0.09993000       0.21792000     -11.25544000      -0.13894357      -1.11016738      -0.71604941
Zn      -1.34213000       0.83669000     -13.84006000      -0.21857786      -1.51024455      -0.33280097
Zn      -1.43860000       1.85307000     -16.23572000      -0.79791911       1.05135308      -1.59219407
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.02072567 magmom=2.3458521 free_energy=-65.03207163 stress="-0.013287580597306392 0.027747064108201974 0.004612875243623079 0.027747064108201974 0.026729640149546242 -0.02206813963640631 0.004612875243623079 -0.02206813963640631 -0.04978573206877243" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12830000       0.22651000      -5.07624000       0.37395327       1.67628514       0.47875289
O        1.40851000       2.71917000      -1.33381000      -1.07468182       0.80433107      -1.39137280
O       -0.09488000       2.03314000      -4.05776000      -0.13604651       0.58310811       0.08746811
O       -1.66974000       1.35807000      -5.83652000      -0.28583858      -2.51110889      -0.52441525
O        0.00688000       0.13058000      -8.12925000      -0.15541207       0.06384424      -0.86067954
O       -1.51087000       1.01172000     -10.78332000      -1.27333690       0.97769839       0.93665450
O       -1.48499000       2.62663000     -13.20416000       1.81155357      -0.81281304       0.22595974
O       -1.46737000      -0.01595000     -15.56966000      -0.78983483       0.48489793      -1.08763741
Zn      -0.34510000       1.87150000      -2.13025000       1.35870021      -0.55019711      -0.43331069
Zn      -1.62611000       1.05264000      -8.78526000       0.20964171       0.01453031       1.33992328
Zn       0.02486000       0.18199000     -11.26435000       1.28354175      -1.13635978      -0.57216760
Zn      -1.21327000       0.83037000     -13.89936000      -1.77489181       1.01356059       0.80000787
Zn      -1.52092000       1.92683000     -16.33544000       0.45265199      -0.60777696       1.00081689
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.36202185 magmom=2.2281995 free_energy=-65.37503601 stress="0.022967061634956546 -0.013338835177440632 -0.003618377365352703 -0.013338835177440632 -0.013408831598898838 -0.01992171090604395 -0.003618377365352703 -0.01992171090604395 -0.03778245942059374" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11122000       0.28108000      -5.05825000      -0.15723618      -0.80881057      -0.02007691
O       -0.23870000       0.00415000      -1.50191000       0.69595444      -0.49379266       0.76363111
O       -0.23426000       1.95142000      -4.04872000       0.51714866       1.21625462       0.32248214
O       -1.71135000       1.21415000      -5.79388000      -0.35541709      -0.57946932      -0.44839933
O       -0.01931000       0.04049000      -8.21268000      -0.25954395       2.13897854      -0.03880946
O       -1.71093000       1.14587000     -10.74670000       0.72166632      -1.59741044       0.86815912
O       -1.26563000       2.56733000     -13.13530000       0.16502754       0.85573286      -1.66009755
O       -1.57936000       0.03340000     -15.64332000       0.07240231       0.75310145      -0.51363137
Zn      -0.17985000       1.82247000      -2.08297000      -0.44381411       0.28152142      -1.17689428
Zn      -1.67931000       1.09711000      -8.71789000       0.24060470      -1.99279809       0.43142876
Zn       0.00606000       0.10438000     -11.28863000      -0.71365970       1.38609888       0.54322184
Zn      -1.17221000       0.85192000     -13.90534000      -0.37095094      -0.95974179       0.89464672
Zn      -1.58425000       1.97287000     -16.38829000      -0.11218201      -0.19966490       0.03433920
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.07205687 magmom=2.2905011 free_energy=-65.08107679 stress="-0.03504407481739731 -0.03087768946178846 0.0022213851917417767 -0.03087768946178846 -0.009618890857554074 0.016615140237602452 0.0022213851917417767 0.016615140237602452 -0.022658093807331633" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.10586000       0.30739000      -5.05489000      -1.65493929      -1.86427369       1.12859794
O       -0.15532000      -0.00598000      -1.60821000       1.11486421      -0.61178951       0.79302723
O       -0.26858000       2.04429000      -4.07891000       0.56153193      -0.03518665       0.15461306
O       -1.80981000       0.95197000      -5.74275000       1.21534127       1.79462038      -1.61939755
O       -0.11478000       0.27574000      -8.28300000       0.21645321      -1.38401835       0.64886470
O       -1.75276000       1.02810000     -10.59785000       0.89032222       0.09948502      -1.40139697
O       -1.03380000       2.66073000     -13.35936000      -1.94868865      -0.23444759       1.34314200
O       -1.67189000       0.22352000     -15.86409000       0.66693377      -0.23916774       0.67315230
Zn      -0.04298000       1.78781000      -2.08633000      -1.12817815       0.45088748      -1.13870429
Zn      -1.71296000       1.06722000      -8.62535000      -0.23776578       1.27008040       0.47480803
Zn      -0.04293000       0.08130000     -11.28126000      -0.46310422      -0.13257224       0.17594352
Zn      -1.15537000       0.83206000     -13.86259000       1.02710826      -0.11489278      -0.81176335
Zn      -1.64800000       2.00523000     -16.41976000      -0.25987878       1.00127526      -0.42088662
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.58557615 magmom=2.3043202 free_energy=-65.59640228 stress="-0.03325994147473707 0.02537011235983703 0.0054313884543234 0.02537011235983703 0.004728780985592572 0.01090401499010564 0.0054313884543234 0.01090401499010564 -0.011387370651364333" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15758000       0.26038000      -5.02389000      -0.36506466      -1.11757291      -0.99929960
O       -1.49519000       2.65451000      -1.60978000      -1.31366767       0.76253810      -0.25486662
O       -0.20501000       2.07432000      -4.14511000       0.49998619      -0.25693986       0.91872053
O       -1.78290000       0.97322000      -5.84982000       0.09499340       1.20388966      -0.05890173
O       -0.14976000       0.22236000      -8.19732000       0.09295888      -0.65172484      -0.01770495
O       -1.62939000       0.91578000     -10.70070000      -1.05306706       0.89541257       0.26702951
O       -2.78431000      -0.05497000     -13.31530000       0.63686440      -0.97010153       0.74905478
O       -1.62073000       0.32797000     -15.93282000      -0.19138710      -0.47801624       1.31278965
Zn       0.03266000       1.77558000      -2.14205000       1.00263166      -0.63752617      -1.00062430
Zn      -1.75702000       1.10024000      -8.52417000       0.02044222       0.45893976      -0.06515099
Zn      -0.10577000       0.05874000     -11.26379000       1.32408552      -0.82172575      -0.11754455
Zn      -1.10074000       0.79891000     -13.85768000      -1.39381312       0.69441751      -0.89855118
Zn      -1.71723000       2.09166000     -16.45995000       0.64503735       0.91840969       0.16504945
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6303823 magmom=2.3439649 free_energy=-65.64389508 stress="0.011541652705409394 0.006269003117137484 0.00648964201887323 0.006269003117137484 -0.016964750769130683 -0.011680142992384875 0.00648964201887323 -0.011680142992384875 -0.025427644837095358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23066000       0.16973000      -5.06869000       1.36286736       0.69750018      -0.77051570
O       -1.43596000       2.66089000      -1.65740000      -0.40016259       0.06008866       0.46421013
O       -0.06815000       2.00961000      -4.13662000      -0.84509002       0.11005534       0.19606083
O       -1.71410000       1.18966000      -5.86561000      -0.43315546      -0.99402232      -0.11221054
O       -0.13438000       0.09220000      -8.07046000      -0.35147778       2.30442329      -0.31064863
O       -1.68593000       0.97123000     -10.79123000      -0.21356373      -0.64003574       1.32002286
O       -1.29299000       2.57529000     -13.14713000       0.63804255       0.13990658      -1.11526365
O       -1.62445000       0.34885000     -15.74229000      -0.66901332       0.69001914      -0.26848303
Zn       0.15225000       1.73403000      -2.24062000       0.18326676      -0.12817263      -0.32563548
Zn      -1.81019000       1.14362000      -8.42569000       0.43315006      -2.33297852      -0.21140099
Zn      -0.10980000      -0.00386000     -11.24377000       0.28608514       0.60044470       0.27362146
Zn      -1.09966000       0.80513000     -13.90041000      -0.97764240      -0.15773743       0.52745769
Zn      -1.74947000       2.23154000     -16.48945000       0.98669343      -0.34949124       0.33278504
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.37797989 magmom=2.3031798 free_energy=-65.39181074 stress="-0.007159890271193752 -0.013464375899598698 -0.01007005410049234 -0.013464375899598698 -0.015711425739960466 -0.011866604051747252 -0.01007005410049234 -0.011866604051747252 -0.02825205654130589" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25218000       0.12004000      -5.17825000       1.82088655       1.83379657       0.94230822
O       -1.48593000       2.69903000      -1.65924000       0.65319285      -0.37881902       0.32281079
O       -0.04821000       1.98663000      -4.18070000      -0.99572587       0.15250445      -0.10965008
O       -1.67843000       1.20273000      -5.79438000      -0.92880925      -1.98086895      -1.77937449
O       -0.22526000       0.30631000      -7.97913000       0.15570328      -1.31522841       0.17287499
O       -1.81299000       0.93394000     -10.60187000       0.93221012      -0.15696748       0.71572994
O       -1.23459000       2.46513000     -13.14942000      -0.25340296       1.78371177      -0.00492780
O       -1.76768000       0.49632000     -15.68123000       0.45750593       0.16388577      -1.36789682
Zn       0.28393000       1.68162000      -2.34327000      -0.79191855       0.26335562       0.16992501
Zn      -1.83142000       1.09900000      -8.35030000      -0.04845642       1.12253718      -0.67127555
Zn      -0.08972000      -0.04386000     -11.21278000      -0.72221586       0.17443643       0.11625135
Zn      -1.15884000       0.80179000     -13.91038000      -0.09169598      -1.60504243       0.95784688
Zn      -1.73100000       2.35213000     -16.48535000      -0.18727383      -0.05730149       0.53537755
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.76348172 magmom=2.0062716 free_energy=-65.76853938 stress="-0.0038460961045125746 -0.011391214022887832 -0.006073228758725376 -0.011391214022887832 0.0144910062152868 0.012768871093490869 -0.006073228758725376 0.012768871093490869 0.01982046337322263" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.19563000       0.14758000      -5.26989000       0.34730215      -0.90672140      -0.02695167
O       -1.40223000       2.65573000      -1.65925000       0.37258410      -0.18873015      -0.60371111
O       -0.17226000       2.00774000      -4.31721000       0.20554015      -0.55446326       0.74885519
O       -1.77781000       0.93474000      -5.90838000      -0.42968534       1.52489208      -0.83403396
O       -0.25946000       0.25782000      -7.80593000       0.37353793      -0.96280702       0.10520888
O       -1.75387000       0.82917000     -10.28183000       0.26421973       0.29963926      -1.70282955
O       -1.23026000       2.67203000     -13.20891000      -0.57699494      -0.61547149       0.74405867
O       -1.79586000       0.68069000     -15.88580000       1.12950589      -0.46315865       1.51106533
Zn       0.37089000       1.64409000      -2.42334000      -0.83364565       0.28992682       0.26039797
Zn      -1.85695000       1.10461000      -8.32062000      -0.13385302       0.56525720       0.17259486
Zn      -0.10356000      -0.06463000     -11.16636000       0.02089800      -0.15330829       0.97824229
Zn      -1.22576000       0.73045000     -13.86565000      -0.24457783       0.53677521      -0.60190120
Zn       1.49320000       2.47450000     -16.44512000      -0.49483117       0.62816970      -0.75099570
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.70068903 magmom=2.0011112 free_energy=-65.7009329 stress="-0.009194104525532721 -0.004802578710802768 0.007130611227054051 -0.004802578710802768 -0.000786719631054549 0.002000869871886724 0.007130611227054051 0.002000869871886724 0.03406166410838692" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14595000       0.14090000      -5.39156000      -1.99026511      -1.63863188      -0.12532771
O       -1.25101000       2.57779000      -1.76838000      -0.28102676       0.09781083       0.63547410
O       -0.25067000       1.92122000      -4.36721000       0.52063996      -0.19668609       0.14584354
O       -1.87070000       0.92206000      -6.01840000       1.92385541       1.62825693       0.18886704
O       -0.19584000       0.04262000      -7.57319000      -0.25183140       1.56660057      -0.65459157
O       -1.64020000       0.80294000     -10.30259000      -0.63721286       0.46423380      -0.24850221
O       -2.93696000      -0.02388000     -13.10406000      -0.00813895      -1.00687200       0.54981791
O       -1.62172000       0.76250000     -15.82316000      -0.62578188       0.02334136       0.59841463
Zn       0.40503000       1.62556000      -2.47489000      -0.39234866       0.18386003       0.06184406
Zn      -1.89117000       1.13109000      -8.30125000       0.34014812      -1.76839040      -0.01570456
Zn       1.48536000       2.69684000     -11.09907000       0.74546455      -0.23331181       0.18866233
Zn      -1.29886000       0.68630000     -13.84621000      -0.50183230       0.95657873       0.02290925
Zn       1.48412000       2.60294000     -16.44446000       1.15832987      -0.07679006      -1.34770681
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.56340462 magmom=2.0011618 free_energy=-65.56341806 stress="0.013040731570260597 0.006355287967512452 -0.002602542226535528 0.006355287967512452 -0.003741692015831967 -0.009505116147803923 -0.002602542226535528 -0.009505116147803923 0.02089649714354389" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17867000       0.07590000      -5.54065000       0.61927892       1.86486752       2.41426727
O       -1.17845000       2.53265000      -1.75229000      -0.69006394       0.39313941       0.45333613
O       -0.21707000       1.78681000      -4.40289000       0.64467290       0.66906131       0.07962253
O       -1.71671000       1.11030000      -5.97753000      -1.14804023      -2.64995283      -0.88140255
O       -0.19130000       0.11209000      -7.47955000      -0.29403294       0.09140911      -2.15558452
O       -1.66263000       0.86264000     -10.37417000      -0.33915469      -0.44113050       1.73833836
O       -1.45083000       2.63435000     -12.95613000       0.14172857      -0.23896865      -0.99733169
O       -1.56842000       0.82275000     -15.67427000      -0.56466450       0.25645232      -1.61554327
Zn       0.41566000       1.61726000      -2.51695000       0.10823381      -0.06291772       0.02637700
Zn      -1.90171000       1.07923000      -8.28540000       0.64364689      -0.32000477      -0.31652204
Zn       1.51114000       2.66296000     -11.00796000       0.27187394       0.58821597      -0.58837796
Zn      -1.38994000       0.69574000     -13.81320000      -0.26364534       0.27704737       1.99461029
Zn      -0.07024000      -0.06603000     -16.49251000       0.87016660      -0.42721854      -0.15178954
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.65306752 magmom=2.0009492 free_energy=-65.65343217 stress="-0.008334145403602684 0.00026880887188639223 0.0039327916337050075 0.00026880887188639223 0.012019033201461131 -0.011460538714409383 0.0039327916337050075 -0.011460538714409383 0.012886717276957036" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.18630000       0.08024000      -5.58970000       0.80293306      -1.02013076       1.72953080
O       -1.24582000       2.56493000      -1.68444000       0.03746585      -0.03092265      -1.77105489
O       -0.05135000       1.76771000      -4.45612000      -0.32611951       0.62422491      -0.03073279
O       -1.74949000       0.93495000      -6.02261000      -0.73740429       0.83640952      -1.14650307
O       -0.25207000       0.21489000      -7.69198000       0.25418745      -1.50420471       0.62821928
O       -1.76845000       0.85432000     -10.13109000       0.52932912      -0.28738072      -2.15409591
O       -1.54095000       2.45294000     -12.94887000      -0.04128382       1.37003360       0.33706901
O       -1.63884000       0.93973000     -15.78242000       0.59927303      -0.18232252       0.63396984
Zn       0.42889000       1.60739000      -2.55342000      -0.21563740       0.11288224       0.62606046
Zn      -1.87518000       1.00052000      -8.29073000       0.17037625       0.95864542       0.87924753
Zn       1.55619000       2.65354000     -10.94545000      -0.40442500       0.19474259      -0.11300377
Zn      -1.50336000       0.72115000     -13.69272000      -0.17591522      -0.99259856      -0.96359315
Zn       0.02843000       0.03543000     -16.57005000      -0.49277951      -0.07937837       1.34488666
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.7120543 magmom=2.0002081 free_energy=-65.71253409 stress="-0.01590130543615033 -0.015950420776480727 0.003956089932728596 -0.015950420776480727 -0.010266591577017726 0.0028582635213547118 0.003956089932728596 0.0028582635213547118 0.023666378461487537" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17037000       0.05475000      -5.54993000      -0.46733817      -1.20698163       0.04004310
O       -1.31910000       2.60890000      -1.91500000       0.56599661      -0.07966989       0.79655431
O        0.06333000       1.86559000      -4.52619000      -1.19104170      -0.25671686       0.44669135
O       -1.84885000       0.82281000      -6.22489000       1.68092172       1.51304268       0.82995428
O       -0.25360000       0.00299000      -7.77739000       0.40463401       0.26717315      -0.08056329
O       -1.75416000       0.77615000     -10.23708000       1.11343167       0.50206936      -0.11155930
O       -1.64160000       2.53611000     -12.91748000      -0.02163989       0.37320895      -0.18397424
O       -1.58726000       1.03263000     -15.81551000       0.61407014      -0.12016514       0.40073334
Zn       0.42812000       1.60422000      -2.56242000      -0.84359881       0.48166529      -0.39621723
Zn      -1.83779000       0.96364000      -8.26859000      -0.19297915      -0.52010868      -0.72347939
Zn       1.57772000       2.65691000     -10.89258000      -1.14439016      -0.45048396      -0.44737174
Zn      -1.63413000       0.70151000     -13.60119000       0.01965159      -0.04006033      -0.92684945
Zn       0.11145000       0.13264000     -16.58892000      -0.53771787      -0.46297294       0.35603824
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35223593 magmom=2.0068022 free_energy=-65.35337786 stress="-0.02207742346929146 0.010788392225676898 0.0049307191151344 0.010788392225676898 -0.034243751673648196 0.007650163490639296 0.0049307191151344 0.007650163490639296 0.03702137656357943" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17531000      -0.03844000      -5.54588000       1.60490667       0.93409044       0.20659080
O       -1.28199000       2.62255000      -2.05259000       0.14873376      -0.26508070       1.39095368
O       -0.03947000       1.93126000      -4.55898000      -0.41849958      -0.57766138       0.27230323
O       -1.66885000       0.95016000      -6.13992000      -1.00948317      -0.82235329       0.10313112
O        1.46382000       2.67219000      -7.75994000      -0.31491988       1.33529056      -0.30006424
O       -1.55991000       0.77844000     -10.46781000      -1.62984556       0.43395242       1.86341290
O       -0.14753000      -0.04334000     -12.88945000      -0.07376873      -1.03402206      -0.25765115
O       -1.39802000       1.10188000     -15.77226000      -0.42838660      -0.11873259      -0.38988392
Zn       0.38239000       1.63107000      -2.58464000      -0.46240557       0.74287027      -0.42802784
Zn      -1.80796000       0.88630000      -8.28255000       0.54839485      -1.05145392      -0.96809876
Zn       1.55539000       2.64016000     -10.86037000       1.31227334      -0.29827781      -1.13290306
Zn      -1.77510000       0.67292000     -13.55909000       0.45563023       1.21347377      -0.91019013
Zn       0.17387000       0.21437000     -16.57391000       0.26737024      -0.49209572       0.55042739
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.22848887 magmom=2.0015185 free_energy=-65.22890156 stress="-0.023986808021708966 0.011860103682271883 -0.001931971906102601 0.011860103682271883 -0.014990612900098062 0.005605668896551159 -0.001931971906102601 0.005605668896551159 0.03124413277545187" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49313000       2.70311000      -5.57597000       0.75456423       1.93744031       1.20640840
O       -1.22302000       2.60882000      -1.89481000      -0.88614548       0.71978571       0.33148372
O       -0.19337000       1.89656000      -4.55110000       1.27288066      -0.41598758       0.79784154
O       -1.62744000       0.92921000      -5.92258000      -1.79201025      -1.43846990      -2.33817848
O       -0.10316000       0.02708000      -7.68542000      -0.35204169      -1.28435103       0.14627555
O       -1.61248000       0.83582000     -10.31032000      -0.26433328      -0.85394036      -0.02039069
O       -0.28601000      -0.05643000     -12.93280000       0.22667735      -0.95874567       0.58770408
O       -1.28859000       1.15184000     -15.79099000      -0.83432726      -0.01086245       0.48627169
Zn       0.30990000       1.69681000      -2.62741000       0.53583353      -0.15513896       0.53254198
Zn      -1.74021000       0.74706000      -8.36597000       0.42818978       1.04256506       0.80513457
Zn      -1.63775000       2.60842000     -10.89439000       0.01384762       0.93022511      -1.02976398
Zn      -1.90278000       0.70994000     -13.56995000       0.39741614       1.14139608      -1.37399863
Zn      -2.96101000       0.26394000     -16.53061000       0.49944866      -0.65391631      -0.13132976
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.27659783 magmom=2.0007345 free_energy=-65.27661599 stress="0.0045616026068029366 -0.011581493899676807 -0.0062553443795701665 -0.011581493899676807 0.01630480905841464 0.0030534680674326816 -0.0062553443795701665 0.0030534680674326816 0.00622521903048356" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57367000       2.73200000      -5.53030000      -2.93553729      -1.58810854       0.54005950
O       -1.32522000       2.72378000      -1.68123000      -0.22847054       0.13327340      -1.30457265
O       -0.13854000       1.77041000      -4.46041000       0.07841680      -0.19456905      -0.62804427
O       -1.79109000       0.75421000      -6.05670000       2.93534375       1.94113330      -0.47707920
O        1.48427000       2.71254000      -7.60427000       0.70640406      -0.90805855      -0.82303688
O       -1.76449000       0.78074000     -10.21655000       0.78876133       0.31299585      -1.61943311
O        1.21764000       2.54401000     -12.89194000       0.14401953       1.16597975      -0.19128282
O       -1.33909000       1.18937000     -15.70563000       0.16934220      -0.17298138       0.87562589
Zn       0.25837000       1.76234000      -2.63067000       0.18349072       0.11706208       2.31180911
Zn      -1.65284000       0.65479000      -8.39549000      -0.66334075       0.65860460       2.42074675
Zn      -1.60676000       2.61774000     -10.98202000      -1.00108622      -0.23050551      -0.14110508
Zn      -2.00754000       0.80184000     -13.65635000       0.44748162      -0.82109444      -0.98799402
Zn      -2.85855000       0.28769000     -16.48485000      -0.62482521      -0.41373151       0.02430679
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.57065019 magmom=2.0006805 free_energy=-65.57115663 stress="0.03294099015353701 -0.00059901352793476 -0.00958980591186517 -0.00059901352793476 -0.0021548153151031177 0.0011454472910006903 -0.00958980591186517 0.0011454472910006903 0.02055939870945844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53790000       2.69931000      -5.51025000       0.79123623      -0.98264655      -0.47231210
O       -3.07234000       0.06732000      -1.69443000       0.30124132      -0.47998052       0.23174077
O       -0.05356000       1.62930000      -4.47371000       0.17255700       1.03804106       0.63889822
O       -1.60429000       0.82649000      -6.13599000      -0.77185800      -0.86849969       1.03876520
O       -1.61695000       2.45255000      -7.62436000      -0.07274722       1.14399529      -1.31063006
O       -1.72374000       0.77539000     -10.37927000       0.64411320      -0.05869592       1.31740864
O        1.16520000       2.58100000     -12.91263000       0.11154163       1.00406011      -1.46020999
O       -1.36052000       1.19280000     -15.51525000       0.67405886       0.14197806      -1.81192481
Zn       0.22247000       1.82719000      -2.52966000      -0.28839219       0.57046293       0.23722207
Zn      -1.60713000       0.60866000      -8.31867000      -0.11806410      -0.02388021      -0.44553230
Zn      -1.62984000       2.61936000     -11.06804000      -0.56011751      -0.04642088       0.43217370
Zn      -2.07803000       0.84919000     -13.77183000      -0.04100416      -0.88306055       1.52701242
Zn      -2.79719000       0.28365000     -16.44401000      -0.84256505      -0.55535313       0.07738824
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.64204736 magmom=1.9992935 free_energy=-65.64333872 stress="0.00015065364009585728 0.005002185268437042 -0.0005267497472148859 0.005002185268437042 -0.008214447738869415 0.009145715078955171 -0.0005267497472148859 0.009145715078955171 0.041210623574716436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.67550000       2.60596000      -5.54768000       2.21672534      -0.24990570       2.03212943
O       -3.13159000       0.09576000      -1.71406000       0.76522254      -0.10617493       0.61528389
O        0.05773000       1.66323000      -4.43374000      -0.16181964       0.28102793       0.18660684
O       -1.53833000       0.76522000      -5.96030000      -1.77323869      -0.33696296      -1.77987517
O       -1.53299000       2.43123000      -7.77557000      -0.68631397       0.44168335       0.69391917
O       -1.56226000       0.77458000     -10.30589000      -0.79052330       0.06401840      -0.62572446
O       -0.45470000       0.02822000     -13.15692000      -0.23010736      -0.86623194       1.02500136
O       -1.24940000       1.21383000     -15.66367000      -0.03639834      -0.27316605      -0.34821161
Zn       0.17451000       1.91371000      -2.41161000      -0.60833635       0.17605619      -0.54024745
Zn      -1.57235000       0.56845000      -8.27458000       0.42626096       0.20214666      -0.86058192
Zn       1.53464000       2.62257000     -11.12540000       0.45330115      -0.08238437       0.31385093
Zn      -2.13528000       0.85019000     -13.81556000       1.06845887       0.89038733      -0.17449483
Zn      -2.78893000       0.25117000     -16.40283000      -0.64323120      -0.14049391      -0.53765617
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.34948411 magmom=2.0006327 free_energy=-65.34984264 stress="-0.017347925914760674 0.015244351729339628 0.01596174379153692 0.015244351729339628 -0.001648062533006848 0.009892149394918946 0.01596174379153692 0.009892149394918946 0.03513305961354844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.57807000       2.49847000      -5.49483000      -1.20885821      -0.12329206       1.12769797
O       -3.04381000       0.09609000      -1.62873000      -0.57733110       0.55298708      -0.48787563
O        0.14650000       1.76229000      -4.36706000      -0.67479727      -0.62855155       0.21174091
O       -1.68879000       0.62145000      -6.00722000       2.11910939       1.02923047      -0.77081004
O       -1.57191000       2.51696000      -7.73482000       0.49244113      -0.99905785       0.22355515
O       -1.56474000       0.78346000     -10.33886000      -0.86186532       0.06132694      -0.70456693
O       -0.51513000       0.09421000     -13.24146000       0.39169759      -1.11310274       1.02581926
O       -1.14863000       1.17228000     -15.91952000      -1.15198590      -0.31042911       1.57660711
Zn       0.09792000       2.01305000      -2.31558000       0.68160975      -0.54614137      -0.51097446
Zn      -1.52140000       0.54069000      -8.28848000      -0.75619853       1.02037084      -0.59513499
Zn       1.50506000       2.61463000     -11.16532000       0.52667266      -0.02346290       0.43862545
Zn      -2.13880000       0.89475000     -13.85722000       0.58898697       1.00556178      -0.69209965
Zn      -2.81378000       0.21017000     -16.38973000       0.43051884       0.07456046      -0.84258415
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.34306278 magmom=2.0001915 free_energy=-65.34327526 stress="0.0171846931995876 0.005235894470742735 0.001548594104912806 0.005235894470742735 -0.021281212543829926 -0.008778697371689922 0.001548594104912806 -0.008778697371689922 0.0313374759425275" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.50181000       2.36423000      -5.38641000      -0.25049058       1.73320451      -0.73573276
O        0.14565000       0.24118000      -1.61645000      -0.92737131       0.12713261      -0.14005144
O        0.12189000       1.75861000      -4.28076000      -0.14377815      -0.67453213       0.15975646
O       -1.53909000       0.62581000      -6.09554000       0.31002034      -0.87766485       1.69004452
O       -1.54546000       2.41276000      -7.58285000       0.28468346       0.18445046      -1.81046673
O       -1.77720000       0.79215000     -10.52401000       0.44990073      -0.47830523       1.28094401
O       -0.53033000      -0.07963000     -13.10291000       0.39917199       1.13539705      -0.87623587
O       -1.27971000       1.04984000     -15.86309000       0.21950245       0.53276288       0.99815250
Zn       0.04314000       2.10270000      -2.23458000       1.00370755      -0.38149253      -1.34327608
Zn      -1.49249000       0.56529000      -8.34971000      -0.44192269       0.07650581       0.14989709
Zn       1.49900000       2.60676000     -11.18875000      -0.40168467       0.35695566       0.13588290
Zn      -2.09311000       1.00751000     -13.94694000       0.28162623      -1.11220204       0.75882929
Zn      -2.83102000       0.15979000     -16.42397000      -0.78336533      -0.62221219      -0.26774388
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.83428056 magmom=2.0142552 free_energy=-64.83859858 stress="0.028594131043507987 -0.011788183365557698 -0.008874051827632312 -0.011788183365557698 -0.029515822504255083 -0.01762409752671383 -0.008874051827632312 -0.01762409752671383 -0.0049057916199497205" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.43536000       2.28436000      -5.33413000       0.95795786       1.81407332       1.08513833
O       -0.07318000       0.40434000      -1.62818000       0.83872629      -0.90170725       0.76140324
O        0.06455000       1.63600000      -4.17988000       0.63972653      -0.29138526       0.37332376
O       -1.28043000       0.55034000      -5.79647000      -1.80355036      -1.09235093      -1.56966321
O       -1.43786000       2.33367000      -7.68080000      -0.11328985       1.02494494      -0.35550265
O       -1.90387000       0.74031000     -10.46547000       1.32134579       0.35147641       0.79527570
O       -0.44130000      -0.05419000     -13.10003000       0.22434164       1.44920625      -0.61130922
O       -1.40132000       1.00995000     -15.67010000       1.08182109       0.10935659      -3.01923268
Zn       0.03170000       2.18995000      -2.21840000      -0.64105002       0.43347631      -1.77698630
Zn      -1.48959000       0.59843000      -8.42428000      -0.04606574      -0.94441494       0.19602575
Zn       1.46554000       2.60736000     -11.20775000      -1.06111758      -0.39894354       0.18186420
Zn      -2.03280000       1.08358000     -13.99152000      -0.65001762      -1.31959905       3.37585889
Zn      -2.88525000       0.07037000     -16.47684000      -0.74882803      -0.23413283       0.56380418
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13056374 magmom=2.0245764 free_energy=-65.13714987 stress="0.007692147176536806 -0.015805554188748277 -0.003122046467949559 -0.015805554188748277 0.00736039526285915 0.009389511053087513 -0.003122046467949559 0.009389511053087513 -0.007987727123124427" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.32559000       2.27056000      -5.25975000      -0.53640300       0.14998424       1.64829499
O       -0.11727000       0.40856000      -1.56392000       0.91599782       0.13607535      -1.26975944
O        0.10931000       1.47906000      -4.08376000       0.62796395      -0.22786547      -0.50888872
O       -1.32880000       0.39597000      -5.66512000      -0.28409641       0.60411568      -2.05610506
O       -1.38027000       2.44899000      -7.80848000      -0.87814710      -0.32698352       0.16484791
O       -1.78057000       0.74756000     -10.31915000      -0.26792910       0.12826965      -2.60652554
O       -0.30955000       0.24590000     -13.21410000      -0.43263525      -0.90269866       0.96654290
O       -1.34477000       0.99909000     -15.89713000      -0.80860804      -0.61597140       1.60502630
Zn      -0.00965000       2.28728000      -2.28546000      -0.76109648      -0.38276336      -0.33263900
Zn      -1.48341000       0.58997000      -8.47753000       0.93040333       0.12926425       1.85099059
Zn       1.38530000       2.59381000     -11.21211000       0.23030421       0.17876918       0.53693189
Zn      -1.99256000       1.09016000     -13.89954000       1.00387819       0.45665610      -0.80220553
Zn      -2.97603000      -0.02618000     -16.49578000       0.26036787       0.67314794       0.80348870
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50613355 magmom=2.0850722 free_energy=-65.51552406 stress="-0.011787471352921143 0.010273325116791021 0.013904274086134512 0.010273325116791021 0.023538172527551592 0.006234119597259323 0.013904274086134512 0.006234119597259323 0.004782164532006633" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.24719000       2.25554000      -5.13366000      -2.00313822      -0.31094426      -0.38596719
O        0.01762000       0.41760000      -1.70822000      -0.96239988       0.10977499       0.70654953
O        0.23966000       1.33251000      -4.14593000       0.36351309       0.68753928       0.13342366
O       -1.44418000       0.41071000      -5.83949000       1.58886080       0.41884280      -0.24453235
O       -1.48415000       2.50375000      -7.85826000       0.29478572      -0.56132720      -0.87029666
O       -1.72692000       0.78207000     -10.57886000      -1.13585793       0.01536460       0.92552422
O       -0.28126000       0.34706000     -13.15555000       0.03574880      -1.15702335       0.16273382
O       -1.43316000       0.88770000     -15.87404000      -0.48261508       0.07258059       0.84996532
Zn      -0.07816000       2.35191000      -2.36250000       1.18726723      -0.94096809      -0.33906552
Zn      -1.44222000       0.58545000      -8.45444000      -0.56046061       0.59710825       0.25497560
Zn       1.33068000       2.58804000     -11.19378000       1.29005460       0.11814135      -0.41432657
Zn      -1.91165000       1.11205000     -13.83817000       0.41756709       0.63749633      -0.50486304
Zn      -3.04701000      -0.07977000     -16.47284000      -0.03332561       0.31341470      -0.27412082
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.55572463 magmom=2.2643959 free_energy=-65.56686333 stress="0.009504471774401765 0.00042468769745263783 0.0019285950312126787 0.00042468769745263783 0.00797780270543316 -0.009597943441667279 0.0019285950312126787 -0.009597943441667279 -0.00843621767695688" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.25178000       2.22679000      -5.08247000      -0.35557483       0.87197342      -2.16223033
O       -0.04003000       0.45085000      -1.75828000      -0.37992435      -0.28901309       1.15537900
O        0.38157000       1.35118000      -4.24033000      -0.40508176       0.69637754       1.58669277
O       -1.34128000       0.50188000      -5.90149000       0.61299289      -0.91514292       0.16515796
O       -1.50828000       2.42497000      -8.05344000       0.68200685       0.54205569      -0.47556190
O       -1.88789000       0.78372000     -10.69810000       0.34441885      -0.50110692       1.16511026
O       -0.26355000       0.18202000     -13.08005000       0.46432856       0.24694707      -0.94091374
O       -1.61139000       0.78871000     -15.69465000       0.61194493       0.52468562      -0.97328388
Zn      -0.08710000       2.36393000      -2.44477000       0.59488472      -0.63197288      -0.07366619
Zn      -1.43199000       0.61142000      -8.41127000      -0.93449783      -0.44120359      -0.00147614
Zn       1.33957000       2.59794000     -11.18776000      -0.06656160       0.52477526       0.21187696
Zn      -1.80693000       1.16785000     -13.80167000      -0.35074191      -0.49817079       0.62703207
Zn      -3.11948000      -0.11214000     -16.45189000      -0.81819453      -0.13020441      -0.28411686
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.15846448 magmom=2.4960334 free_energy=-65.1757675 stress="0.0018326959287009465 -0.027919556957250045 -0.004585821010377336 -0.027919556957250045 -0.024413982841959593 -0.016607128792526196 -0.004585821010377336 -0.016607128792526196 -0.01979402998288964" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.27411000       2.22744000      -5.17970000       1.56541579       1.66405183       0.88273127
O       -0.21967000       0.45180000      -1.59945000       0.91899802      -0.09508375      -0.49641564
O        0.45828000       1.53712000      -4.13750000      -0.38697848      -1.17397689      -0.50009739
O       -1.12306000       0.49112000      -5.80298000      -1.17100459      -0.70541334      -1.98315582
O       -1.38372000       2.45337000      -8.36314000      -1.53318126      -0.12798536       0.84201126
O       -1.97045000       0.72484000     -10.57619000       1.63841259       0.78924613      -0.26537963
O       -0.13471000       0.10425000     -13.16113000       0.00068763       1.95687317       0.83297527
O       -1.69363000       0.79742000     -15.70134000       0.23484641       0.22940994      -0.07908578
Zn      -0.05954000       2.33606000      -2.52628000      -0.92827265       0.16496689       2.06708047
Zn      -1.47034000       0.61518000      -8.36971000       1.22907084       0.06802845      -0.41069302
Zn       1.34362000       2.62845000     -11.17178000      -1.09983793      -0.52569241       0.20094829
Zn      -1.70476000       1.18460000     -13.73813000      -0.11876363      -2.37067817      -1.02462775
Zn       1.57038000       2.64166000     -16.45121000      -0.34939274       0.12625351      -0.06629153
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.29159855 magmom=2.3634703 free_energy=-65.30813077 stress="-0.020285019190813047 0.013102157257492796 0.0064004480260607234 0.013102157257492796 0.008615468070622342 0.008731476697628268 0.0064004480260607234 0.008731476697628268 0.0026247802616793745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.22426000       2.29261000      -5.26485000       1.72994202       0.43602914       1.07664265
O       -0.21607000       0.42518000      -1.58571000       0.83338943      -0.04456539      -0.79251877
O        0.51407000       1.55307000      -4.20956000      -0.62787209      -0.89477805       0.06285053
O       -1.08387000       0.44361000      -5.95265000      -1.46058633       0.65412236      -1.63144898
O       -1.52475000       2.50972000      -8.48910000       1.08569733      -0.71339054       0.85783010
O       -1.73997000       0.81170000     -10.50281000      -1.18833251       0.28532359      -0.73397183
O        0.02190000       0.35091000     -13.11736000      -0.40188229      -1.44275486       0.76862627
O       -1.73043000       0.85160000     -15.76650000      -0.33235809      -0.59589076       0.86502346
Zn      -0.08113000       2.30959000      -2.49082000      -0.64902778      -0.21914783       1.09940297
Zn      -1.46272000       0.61074000      -8.35569000      -1.13509114       0.80081265      -0.10006235
Zn       1.30226000       2.64086000     -11.13525000       1.62971858      -0.18092559       0.05979228
Zn      -1.59548000       1.09537000     -13.71075000       0.10444990       0.90994886      -1.04830088
Zn       1.40146000       2.60315000     -16.42791000       0.41195297       1.00521643      -0.48386545
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.20487445 magmom=2.0630422 free_energy=-65.21239461 stress="-0.00080830086595157 0.021601058597846192 0.0157629120985361 0.021601058597846192 -0.01944277397734451 0.005114530990914332 0.0157629120985361 0.005114530990914332 0.014758674938218148" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.10416000       2.37444000      -5.31536000      -0.74092294      -0.42133928      -1.34407294
O       -0.05245000       0.38380000      -1.77050000      -1.10915117      -0.04026208       1.26606341
O        0.51648000       1.41336000      -4.41683000      -0.51363300       0.92973376       1.33576484
O       -1.26037000       0.53332000      -6.24944000       0.87159317       0.02649244       0.78504119
O       -1.53667000       2.43082000      -8.38628000       0.38821720       1.49950479      -0.14471791
O       -1.69297000       0.93479000     -10.57368000      -0.76512895      -1.49942445       0.70509927
O        0.11324000       0.35583000     -12.94610000      -0.11907160      -0.95184407      -1.03817036
O       -1.84118000       0.81026000     -15.70458000      -0.45562814       0.03712077      -0.15755659
Zn      -0.14017000       2.27508000      -2.37063000       1.12546286      -0.77280762      -1.09351181
Zn      -1.49365000       0.64493000      -8.36577000      -0.43456219      -1.20638110       0.07894058
Zn       1.33395000       2.65108000     -11.09155000       1.09585667       1.27336882      -0.08900664
Zn      -1.47891000       1.03437000     -13.72952000      -0.24429423       0.68269223       0.28755002
Zn       1.24638000       2.60964000     -16.41911000       0.90126232       0.44314577      -0.59142306
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.40172784 magmom=2.1047156 free_energy=-65.41021052 stress="-0.024647259407818718 -0.023041673440202033 0.007545654138907281 -0.023041673440202033 0.006177666264445843 -0.0010694449586615765 0.007545654138907281 -0.0010694449586615765 0.013689475689046332" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.02532000       2.42988000      -5.43410000      -2.29349163      -0.50864558       0.78097435
O       -0.11026000       0.34207000      -1.74482000      -0.47990208      -0.30625100       0.94046037
O        0.40608000       1.44372000      -4.44155000       0.15514858       0.85875782       0.91257448
O       -1.30899000       0.62697000      -6.20977000       1.74888695       0.15781598      -0.53843879
O       -1.45012000       2.53722000      -8.25840000      -1.88073544      -0.92840468       0.18552553
O       -1.83135000       0.80572000     -10.54410000       1.03647404       0.51245034       0.48346790
O       -3.05895000       0.12756000     -13.01554000       0.04132747      -0.52235438      -0.69985615
O       -2.02313000       0.77084000     -15.69781000       0.27474240       0.41191425      -0.34341270
Zn      -0.14246000       2.20742000      -2.30545000       0.42593485      -0.43205073      -1.29276061
Zn      -1.54371000       0.64550000      -8.39491000       1.74858450       1.02060356      -0.48248655
Zn       1.42448000       2.70585000     -11.05265000      -0.50407012      -0.48743478      -0.19050802
Zn      -1.39036000       1.02028000     -13.73194000      -0.69936026       0.20543851       0.22423709
Zn       1.15653000       2.64104000     -16.43106000       0.42646072       0.01816069       0.02022311
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.04646318 magmom=2.0932557 free_energy=-65.05640502 stress="-0.007419996625630453 -0.007482156969694312 -0.011528072292540097 -0.007482156969694312 -0.03588450632945349 -0.012537566613579687 -0.011528072292540097 -0.012537566613579687 0.0052316957825877175" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.03749000       2.46788000      -5.52229000      -1.96073942       1.33894910       1.99712142
O       -0.27027000       0.27469000      -1.57844000       1.08166501       0.12535447      -0.92783636
O        0.26889000       1.64635000      -4.36603000       1.01192867      -0.16625094       0.44932588
O       -1.15016000       0.69923000      -6.06237000       0.15164007      -0.80168770      -1.27557339
O       -1.61230000       2.53130000      -8.06138000       1.32412876      -0.21047454       0.20770248
O       -1.74242000       0.75520000     -10.43454000       0.39358214       0.88949955      -0.57230020
O       -3.02007000      -0.09880000     -13.21187000      -0.20003514       2.53756357       1.71428843
O       -2.13484000       0.82158000     -15.77577000       0.76737268       0.25173634       0.49528222
Zn      -0.12150000       2.11387000      -2.30519000      -0.95560427      -0.49846040      -0.86450892
Zn      -1.53133000       0.67552000      -8.45789000      -0.90481797       0.20143384       0.29314803
Zn      -0.11778000      -0.05061000     -11.00992000      -0.04083569      -0.95607220      -0.93599384
Zn      -1.34322000       0.99697000     -13.72546000      -0.57442670      -2.68723281      -1.27134944
Zn      -0.50542000      -0.11731000     -16.41206000      -0.09385813      -0.02435826       0.69069370
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.39359896 magmom=2.0006117 free_energy=-65.39465466 stress="0.020876194500515834 0.013747335421111145 0.0033327698523860525 0.013747335421111145 -0.02082741343668969 0.003359076952023391 0.0033327698523860525 0.003359076952023391 0.018398914562416265" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.13140000       2.54166000      -5.51307000       0.06546623       0.30215704       0.86899144
O       -0.21202000       0.20566000      -1.61734000       0.33072948      -0.49578546      -0.03247710
O        0.22960000       1.88766000      -4.29579000       0.61996942      -0.54531836      -0.21030435
O       -1.03569000       0.71182000      -6.00847000      -1.86086804       0.58182630      -0.48329286
O       -1.54443000       2.47789000      -7.76820000       0.85848829       0.62312162      -0.75297051
O       -1.54284000       0.91944000     -10.43315000      -0.81968608      -0.42473711      -0.11881791
O       -3.00260000       0.04952000     -13.07840000       0.21766264      -0.78488037       0.48372011
O       -2.08641000       0.91527000     -15.75202000       0.01430645      -0.40217659       0.86927820
Zn      -0.14886000       2.00071000      -2.34140000      -0.36224435       0.32038420      -0.13220443
Zn      -1.54513000       0.71241000      -8.50867000       0.05601287      -0.72451654       1.49094551
Zn      -0.06410000      -0.07358000     -11.04437000       1.03789142       0.32326698      -0.99484876
Zn      -1.33776000       0.87289000     -13.77829000      -0.89388624       0.71344645      -0.38132212
Zn      -0.56294000      -0.08423000     -16.37653000       0.73615789       0.51321184      -0.60669721
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.1070523 magmom=1.9959475 free_energy=-65.10762851 stress="0.026332238463780733 -0.0015325422104673868 0.010905197487700104 -0.0015325422104673868 -0.0070254610346140445 0.02138311341286051 0.010905197487700104 0.02138311341286051 0.002718592521856377" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.22625000       2.62439000      -5.47162000      -0.54386618       1.22054499       0.30475314
O       -0.08741000       0.05761000      -1.66415000      -0.89530120       0.16113433       1.22042146
O        0.26367000       2.03892000      -4.30067000       0.22941642      -1.04618087       0.10908264
O       -1.23345000       0.83103000      -5.96673000      -0.07202359      -0.52244571      -0.41222585
O       -1.29319000       2.54483000      -7.59064000      -0.86092040      -0.06268511      -1.05252222
O       -1.50727000       0.96882000     -10.43306000      -0.12521998      -1.09216814       0.77426859
O       -2.96666000       0.11454000     -12.91923000      -0.45220736      -0.39485536      -2.67284971
O       -2.03540000       0.94736000     -15.58768000      -0.66199884       0.10258648      -1.28017993
Zn      -0.19404000       1.89963000      -2.38956000       0.73247863      -0.12726228      -0.46070056
Zn      -1.55824000       0.72033000      -8.48609000       0.95307807       0.54862877       1.09873395
Zn      -3.17747000      -0.08450000     -11.12137000       0.10061879       0.76145062       1.41545694
Zn      -1.37172000       0.76829000     -13.83924000       0.48600479       0.53315936       2.05929134
Zn      -0.57969000      -0.03097000     -16.36903000       1.10994085      -0.08190706      -1.10352979
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.39127569 magmom=2.0009429 free_energy=-65.39130555 stress="0.006145646317747093 -0.019770943720414075 0.014646522958425634 -0.019770943720414075 0.01451830758732789 0.014838653124353469 0.014646522958425634 0.014838653124353469 0.017223340667785633" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.94373000      -0.04003000      -5.42152000      -1.00732451       0.44776325       0.42829879
O        1.47056000       2.71819000      -1.54609000      -0.17286397       0.22426701      -1.69864296
O        0.30364000       1.98070000      -4.33369000      -0.70607451      -0.64772936       0.21254692
O       -1.45475000       0.93268000      -5.92457000       1.68159133      -0.34954261      -0.64435702
O       -1.24958000       2.59397000      -7.57288000      -1.61721356      -0.25373928      -0.57794026
O       -1.50094000       0.79838000     -10.31001000       0.38980066       0.42275027      -1.16101803
O       -3.03131000       0.03573000     -13.15555000       0.19418919      -1.33719134       1.70762908
O       -2.10685000       0.98093000     -15.65136000       0.26199353      -0.20668030      -0.25169906
Zn      -0.20485000       1.79982000      -2.44702000       0.36064415      -0.08499629       0.90913267
Zn      -1.51425000       0.75700000      -8.40386000       1.29139789       0.70965234       1.22088224
Zn      -3.06892000      -0.04793000     -11.14592000      -0.25620445      -0.36267258       0.19260460
Zn      -1.38810000       0.70551000     -13.81601000      -0.64655964       1.29988852      -0.83386782
Zn      -0.53672000       0.02101000     -16.41390000       0.22662388       0.13823036       0.49643085
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.94551117 magmom=1.9990069 free_energy=-65.94638252 stress="0.0028642758485070015 0.0018802567587684524 -0.0070155016769546915 0.0018802567587684524 0.001034782650349856 -0.002443382077342568 -0.0070155016769546915 -0.002443382077342568 0.03174495481940314" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.09647000       0.09801000      -5.40039000       0.99596464      -1.57156058       0.34887996
O        1.36622000       2.65036000      -1.69958000       0.27093410       0.19343914      -0.28543558
O        0.21164000       1.79809000      -4.35865000      -0.36302241       0.68356039       0.03341785
O       -1.42617000       0.96381000      -5.92120000      -0.85341786       0.20796350      -0.78089871
O       -1.52025000       2.64024000      -7.62624000       0.81841693       0.72684158      -0.28115219
O       -1.41209000       0.71208000     -10.36006000       0.35923452       0.77296792       0.17972353
O       -1.47756000       2.50152000     -13.15997000       0.09685118       0.74719537       0.38145151
O       -2.12872000       0.98110000     -15.79250000       0.79365787      -0.02084734       0.68611408
Zn      -0.19435000       1.69684000      -2.45879000      -0.27328486       0.07392552       0.71574536
Zn      -1.40899000       0.82289000      -8.27455000      -0.70638876      -0.19758580      -0.44326414
Zn      -2.97766000      -0.03102000     -11.15045000      -0.44934849      -0.80651764       0.44101704
Zn      -1.42884000       0.70454000     -13.81517000      -0.51943559      -0.44832205      -0.53907024
Zn      -0.47898000       0.07483000     -16.44549000      -0.17016127      -0.36106001      -0.45652848
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.66505066 magmom=2.0017891 free_energy=-65.66645412 stress="-0.004740950068418325 0.008860949707848838 -0.009778793172114175 0.008860949707848838 -0.015341950425993884 -0.006837908897041372 -0.009778793172114175 -0.006837908897041372 0.025725820277803922" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03538000       0.13991000      -5.39419000       0.90758114      -1.95552112      -0.17451699
O        1.34534000       2.62007000      -1.89061000       0.47086502      -0.31254950       1.71128180
O        0.06968000       1.76580000      -4.38566000      -0.08019343       1.36460815       0.41527713
O       -1.51541000       0.99250000      -5.97651000      -0.82419103       0.14094032      -0.31169558
O       -3.12280000      -0.04473000      -7.63087000       1.48927109      -0.16695429       0.01072240
O       -1.28684000       0.79625000     -10.38371000      -0.45414182       0.44324796       0.43410153
O       -1.48038000       2.38793000     -13.05821000      -0.10865129       1.47023930      -1.02287541
O       -2.00758000       0.97246000     -15.79613000      -0.10671615       0.12005449      -0.04815427
Zn      -0.20003000       1.62061000      -2.43492000      -0.46139661       0.70727715      -0.58725968
Zn      -1.37126000       0.88553000      -8.20030000      -1.50540170       0.45932721      -1.28858044
Zn      -2.92031000      -0.05581000     -11.12766000       0.26201463      -0.44181262       1.10980550
Zn      -1.49248000       0.68131000     -13.84273000      -0.13406326      -1.14169801       0.50335516
Zn      -0.43556000       0.10127000     -16.48697000       0.54502340      -0.68715903      -0.75146114
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.71435114 magmom=2.0011765 free_energy=-65.71461631 stress="0.0050497390518407445 -0.026376165830518154 0.006898709821693086 -0.026376165830518154 -0.009800680097403654 0.00538003661899396 0.006898709821693086 0.00538003661899396 0.02619989312354345" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00304000       0.06948000      -5.43097000      -0.90478890       0.31970449       0.86107951
O        1.42136000       2.54062000      -1.74290000      -0.29408153       0.14766788      -0.32607103
O       -0.09013000       1.96757000      -4.38862000       0.13919694      -0.23982089       0.14001457
O       -1.72832000       1.03655000      -5.98381000       1.89390102       0.12492640       0.06095458
O       -2.83563000       0.00484000      -7.57782000      -2.42970118      -0.62876683      -0.61508956
O       -1.24301000       0.96587000     -10.29551000      -0.16409991      -1.18143005       0.33326444
O       -1.52089000       2.60226000     -13.14075000      -0.54629654      -0.61169150       0.75490597
O       -1.88870000       0.98913000     -15.80724000      -0.30827077      -0.10884137      -0.14554995
Zn      -0.22964000       1.57797000      -2.43354000       0.32251395       0.26956488      -0.34128679
Zn      -1.40989000       0.97806000      -8.21311000       1.33541819       0.23735125      -1.03074237
Zn      -1.25067000       2.68558000     -11.06707000      -0.16853695       1.06332780      -0.35154799
Zn      -1.56412000       0.59693000     -13.84708000       0.54251499       0.92031154      -0.12184386
Zn      -0.36084000       0.08825000     -16.56708000       0.58223068      -0.31230362       0.78191248
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.22667876 magmom=2.0004917 free_energy=-65.22708725 stress="0.014983673534078324 -0.002380138800237822 -0.008060682344466776 -0.002380138800237822 -0.01980863536390457 -0.0035448818040823083 -0.008060682344466776 -0.0035448818040823083 0.011842634790492633" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07406000       0.00936000      -5.46493000       0.06895276       2.51722290       1.04387674
O       -1.76317000       2.45383000      -1.69037000      -0.69376151       0.41713271      -1.54022198
O       -0.22595000       2.16931000      -4.36449000       1.01611863      -0.98512806       0.87381623
O       -1.67355000       1.06127000      -5.88415000      -0.17480650      -1.67200353      -1.43039448
O       -2.98297000       0.02546000      -7.56487000      -0.79182126       1.06829730      -0.16544380
O       -1.24050000       0.91994000     -10.15764000       0.07742148      -0.59111677      -1.69244090
O       -0.04406000      -0.04626000     -13.06691000       0.71384741      -0.94587682       1.25726206
O       -1.82278000       0.97638000     -15.84724000      -0.01220803      -0.41214304       0.42599919
Zn      -0.24759000       1.54874000      -2.45186000       0.65716120      -0.15384350      -0.32239071
Zn      -1.39893000       1.07902000      -8.28683000      -0.02247046      -1.07696432       1.13579878
Zn      -1.18130000       2.68415000     -10.98642000      -0.52406034       0.54843784      -0.59159720
Zn      -1.62437000       0.54647000     -13.85628000      -0.45995324       1.15367891      -0.61192315
Zn      -0.24137000       0.05704000     -16.60309000       0.14557987       0.13230639       1.61765923
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.63252018 magmom=1.99996 free_energy=-64.63254013 stress="-0.014042998298630522 0.013660154046606846 -0.023013657952135814 0.013660154046606846 0.005419738421638066 0.015548538729494861 -0.023013657952135814 0.015548538729494861 0.02430065561096471" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13886000       0.03604000      -5.45662000       1.46815600       0.01650987       1.18217636
O        1.34337000       2.47135000      -1.91529000       0.38426889       0.34547325       2.11804536
O       -0.21432000       2.23156000      -4.24028000       0.25472418      -0.60617513      -1.53581120
O       -1.64029000       0.95021000      -5.95001000      -1.92935150       1.30725214      -0.45612735
O       -0.13865000       0.18007000      -7.53572000       2.50721317      -1.99054120      -0.01232947
O       -1.20833000       0.71910000     -10.26978000       0.62236041       1.26450632       0.94209567
O        1.49647000       2.67745000     -12.79361000       0.20733295      -0.29886139      -2.46367615
O       -1.74203000       0.87496000     -15.81661000       0.36623129       0.19082627      -0.05482161
Zn      -0.23393000       1.50346000      -2.49173000      -0.27444223      -0.12513819      -0.15047450
Zn      -1.38546000       1.16492000      -8.34058000      -2.07447424       1.20275554      -0.19202617
Zn      -2.73330000      -0.07179000     -10.91149000      -1.08420511      -0.91537407      -0.82272083
Zn      -1.71072000       0.55310000     -13.88484000      -0.02063160       0.33454922       2.25764359
Zn      -0.08614000       0.01914000     -16.55979000      -0.42718220      -0.72578264      -0.81197369
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.28585991 magmom=2.0001535 free_energy=-65.28586456 stress="0.018542085881372013 0.0003032342899607489 0.008982802884000243 0.0003032342899607489 -0.005910645753444763 3.495061610126324e-05 0.008982802884000243 3.495061610126324e-05 0.032353400035332734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14319000       0.07758000      -5.41429000      -1.04147608       0.65013133      -0.82944565
O        1.28067000       2.54205000      -1.75907000       0.50140771      -0.64533761       0.03609052
O       -0.14688000       2.15261000      -4.39450000      -0.36261980      -0.89072767       0.60764306
O       -1.87331000       1.05296000      -6.03355000       1.62047195      -0.08636437       0.59928266
O       -0.13732000       0.06561000      -7.50000000      -0.19501449       1.79003875      -0.88844056
O       -1.09666000       0.75357000     -10.24764000      -0.84135631       0.81022383       0.35802524
O        1.50447000       2.51444000     -12.92594000      -0.05947807      -0.18197758      -0.26920869
O       -1.58014000       0.79541000     -15.77983000       0.00657245       0.19782122       0.10006634
Zn      -0.22660000       1.45542000      -2.54736000      -0.26383782       1.00084606       0.11899721
Zn      -1.45785000       1.29047000      -8.38825000       0.17595985      -1.87718617       0.74370844
Zn      -2.72897000      -0.08075000     -10.90678000       0.13184703      -0.68490733      -1.38291551
Zn      -1.80800000       0.58689000     -13.80590000       0.60067143       0.41068729       0.66667828
Zn      -3.15395000      -0.06790000     -16.54753000      -0.27314787      -0.49324774       0.13951867
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.08776793 magmom=2.0082024 free_energy=-65.08878967 stress="0.02956103414887628 -0.001128054358387502 0.002907994817496216 -0.001128054358387502 -0.017281992247630232 -0.0172188388482569 0.002907994817496216 -0.0172188388482569 0.023395108905835807" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.18353000       0.14654000      -5.44999000      -0.35043364       0.93631303      -0.19009318
O        1.32471000       2.49708000      -1.64489000       0.18999467      -0.18522452      -1.96429779
O       -0.17002000       1.95275000      -4.47904000      -0.46219595       0.54586813       1.15624163
O       -1.85535000       1.14254000      -5.93941000       1.23227559      -1.42737979      -0.99116326
O       -0.08875000       0.23487000      -7.55741000       0.05446040       0.57505933      -0.65840867
O       -1.11160000       0.92954000     -10.18406000      -0.23880824      -0.97838496      -1.57841111
O       -1.72383000       2.35912000     -13.11775000      -0.24020675       1.67042554       2.10037633
O       -1.42830000       0.75775000     -15.72693000      -0.39661584      -0.15455267       0.15129150
Zn      -0.23522000       1.45324000      -2.58369000      -0.11331484       0.43757658       1.32855082
Zn      -1.53646000       1.33183000      -8.39417000      -0.42438772      -0.85741208       2.07749612
Zn      -1.12831000       2.66903000     -10.98902000      -0.27724111       0.68194992      -0.83717914
Zn      -1.86667000       0.62949000     -13.70006000       0.95628243      -1.20309308      -1.66592983
Zn      -1.42548000       2.62206000     -16.53752000       0.07019102      -0.04114543       1.07152658
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.25693155 magmom=2.0006983 free_energy=-65.25704664 stress="-0.01777940389354607 0.009573074367008015 -0.018344082542737852 0.009573074367008015 0.01906883127825504 0.003096354406621485 -0.018344082542737852 0.003096354406621485 0.02250940873297257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.21527000       0.23531000      -5.51653000       2.49249797      -1.70702103       1.63133223
O       -1.80778000       2.41282000      -1.87673000      -0.07986646       0.37801350       1.39580855
O       -0.25510000       1.87484000      -4.39528000       0.57170367       0.91808700      -0.96216677
O       -1.69762000       1.04391000      -5.96070000      -2.61207202       1.41983635      -1.36238033
O       -0.03003000       0.51808000      -7.66059000       0.02504338      -1.46676019      -0.20927889
O       -1.20064000       0.89981000     -10.36009000      -0.29500025      -0.48616265       0.65970465
O        1.42588000       2.49898000     -12.91434000      -0.24925879      -0.05218119      -1.08774191
O       -1.37511000       0.69879000     -15.66134000      -0.05777565      -0.13935959      -0.29721267
Zn      -0.24724000       1.47363000      -2.54691000       0.39186828      -0.17454236       0.73901302
Zn      -1.62076000       1.31413000      -8.32563000      -0.11230744       0.46426457      -0.61012846
Zn      -1.14199000       2.66857000     -11.08684000      -0.22038898       0.71859996       0.69818488
Zn      -1.86444000       0.62563000     -13.68190000       0.73797492       0.22364060      -0.09611097
Zn      -1.32006000       2.53510000     -16.46632000      -0.59241863      -0.09641496      -0.49902333
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50783521 magmom=2.0003662 free_energy=-65.50823409 stress="-0.021933064310009437 -0.009396849875691308 -0.011742087386474488 -0.009396849875691308 0.02238459593305782 -0.00791431404963864 -0.011742087386474488 -0.00791431404963864 0.030449852804393142" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15320000       0.25718000      -5.51973000      -0.91729394      -0.91766695       0.37476308
O       -1.76093000       2.42754000      -1.82898000      -0.38081154       0.31346281       1.16418354
O       -0.21594000       1.96934000      -4.49534000       0.09247192       0.50492443       0.62412885
O       -1.83761000       1.12333000      -6.12394000       1.53392253       0.72968543       0.21694494
O       -0.04619000       0.43518000      -7.75196000      -0.98251513      -1.05951814      -0.26861840
O       -1.31962000       0.78799000     -10.39450000       0.75658314       1.02799324       0.73252636
O        1.32562000       2.64054000     -12.94081000       1.00689994      -0.93805488      -0.98426455
O       -1.34274000       0.61656000     -15.66592000       0.11838607       0.04130129      -0.20710471
Zn      -0.23375000       1.48448000      -2.47575000       0.67732151       0.08404646      -0.65080502
Zn      -1.69179000       1.32272000      -8.29551000       0.60184491       0.04422055      -1.15871193
Zn      -2.77437000      -0.08761000     -11.11906000      -1.25117344      -0.62081158       0.96915018
Zn      -1.82455000       0.62662000     -13.68050000      -0.43838318       0.86434400      -0.19727996
Zn      -1.25802000       2.45171000     -16.42387000      -0.81725281      -0.07392666      -0.61491238
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.17617715 magmom=2.001791 free_energy=-65.17672443 stress="0.01884117106572624 0.008570891805388652 0.0010189215525969058 0.008570891805388652 -0.03055149960655324 -0.008844905559116246 0.0010189215525969058 -0.008844905559116246 0.032631714463474466" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.10186000       0.24738000      -5.53408000      -0.85576534       1.76129084       0.26392426
O        1.42555000       2.52508000      -1.53907000       0.13712494      -0.33355483      -1.97653247
O       -0.13521000       2.18183000      -4.54214000      -0.07844452      -0.36278906       1.34459157
O       -1.80100000       1.30312000      -6.16149000       0.66900021      -2.22131495       0.03928413
O       -0.28479000       0.19628000      -7.78609000       0.77886146       2.80178799       0.41127256
O       -1.33161000       0.86324000     -10.28413000      -0.16469545       0.18768221      -1.17677345
O        1.43382000       2.57600000     -13.21444000       0.28901706      -0.32120307       1.82368836
O       -1.28391000       0.52319000     -15.72440000      -0.21785939       0.03167618       0.53653014
Zn      -0.17802000       1.50273000      -2.41132000       0.01630182       0.68539773       0.17707831
Zn      -1.74089000       1.30899000      -8.34758000      -0.20900944      -2.64273302      -0.78483548
Zn      -2.87550000      -0.07527000     -11.11272000      -0.53715729      -0.08697357       0.39390008
Zn      -1.79685000       0.68126000     -13.69519000       0.51423505       0.31097404      -1.42224898
Zn      -1.23310000       2.34866000     -16.40345000      -0.34160911       0.18975949       0.37012098
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.44180739 magmom=1.9992525 free_energy=-65.44180761 stress="0.016213898881528355 0.006329846533983328 0.004712744813508641 0.006329846533983328 -0.011370784695949047 0.009028246556723194 0.004712744813508641 0.009028246556723194 0.03719813303120195" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09240000       0.30333000      -5.57361000       0.60561442      -0.15795558       1.87404371
O        1.42870000       2.55499000      -1.58960000       0.67357586      -0.31356063      -0.19487564
O       -0.07337000       2.35627000      -4.36430000      -0.08342474      -0.85191327      -0.08782903
O       -1.64345000       1.20977000      -6.04257000      -1.40246130       0.93403407      -0.54447217
O       -0.30143000       0.34384000      -7.67667000       1.80225359      -0.94508957      -0.86399330
O       -1.35849000       0.98892000     -10.37888000      -0.54161922      -1.05126882      -0.04451368
O       -1.54666000       2.45634000     -13.13068000      -0.55708255       1.30593573       1.08704280
O       -1.26298000       0.42550000     -15.69262000      -0.17740563      -0.05873585       0.12009473
Zn      -0.11263000       1.56039000      -2.33562000      -0.25842455       0.52991871      -0.71717689
Zn      -1.82237000       1.18805000      -8.45097000      -0.67081907       0.45505162       0.82482590
Zn      -3.02467000      -0.06562000     -11.08715000       0.11931185       0.95884585      -0.47709589
Zn      -1.74888000       0.75199000     -13.78838000       0.89250494      -1.16094193      -0.37886066
Zn      -1.22987000       2.24440000     -16.36952000      -0.40202360       0.35567967      -0.59718988
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.14799881 magmom=1.9988814 free_energy=-65.14836747 stress="-0.008404996574769643 -0.010363482642574834 0.02139543020724123 -0.010363482642574834 0.013403487400332438 0.007683464638157826 0.02139543020724123 0.007683464638157826 0.022117343356505934" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06787000       0.34999000      -5.52570000      -0.16685268      -0.39235737       1.93719055
O       -1.66157000       2.52356000      -1.69454000       0.11845147       0.31303530       1.42562706
O       -0.03578000       2.35282000      -4.25276000      -0.09020267      -0.53576583      -0.83500703
O       -1.69378000       1.24482000      -5.96716000       0.28188544       0.61792439      -0.79168730
O       -0.06075000       0.32168000      -7.65718000      -2.08101342      -1.22096235      -0.12564043
O       -1.49613000       0.92444000     -10.45722000      -0.50503525       0.04927628       0.94276515
O       -1.45659000       2.55980000     -12.93951000      -0.43952599      -0.19360388      -2.67067344
O       -1.27483000       0.33078000     -15.66461000       0.09047784       0.00062785      -0.84320434
Zn      -0.06760000       1.63243000      -2.30482000       0.25052744      -0.25473288      -1.35484650
Zn      -1.90557000       1.10248000      -8.51286000       2.22597917       1.05174732       0.39185097
Zn      -3.14615000      -0.01743000     -11.07502000       0.26084943       0.14354215       0.65572309
Zn      -1.66366000       0.76940000     -13.86971000       0.48798613       0.15392087       2.44943394
Zn      -1.24691000       2.17242000     -16.36733000      -0.43352692       0.26734815      -1.18153170
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.65158924 magmom=2.0006116 free_energy=-65.65422689 stress="0.004171394709693669 -0.0052536410784705416 0.010446528393132324 -0.0052536410784705416 0.020062739639746967 -0.00533887179412773 0.010446528393132324 -0.00533887179412773 0.008413973699896346" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04960000       0.37142000      -5.39054000      -0.58929962       0.57255218       0.41723786
O       -1.53354000       2.56602000      -1.55815000      -0.65428057       0.43075093      -1.44832443
O       -0.02631000       2.23058000      -4.34485000      -0.23559899      -0.01127501       0.65061147
O       -1.72977000       1.36400000      -5.97219000       0.74828113      -1.57997109      -0.36992139
O       -0.16924000       0.09881000      -7.67996000      -0.25112604       0.79492835      -1.30554243
O       -1.69548000       0.85628000     -10.36584000       0.78020794       0.65152103      -1.34699785
O       -1.50130000       2.63797000     -13.17211000      -0.47137924      -0.06563054       1.06568770
O       -1.28159000       0.26176000     -15.77247000      -0.31825033       0.48716125       0.62198020
Zn      -0.01236000       1.68514000      -2.34134000       0.71197633      -0.17979777      -0.26662805
Zn      -1.88454000       1.07298000      -8.52430000       0.36158110      -0.09246065       2.86293823
Zn      -0.02900000       0.04147000     -11.05498000      -0.60660120      -0.80736175      -1.09706258
Zn      -1.55569000       0.78625000     -13.83573000       0.50265555      -0.13222066      -0.13821921
Zn      -1.28384000       2.12321000     -16.42106000       0.02183393      -0.06819626       0.35424046
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.90251055 magmom=2.073556 free_energy=-65.91181361 stress="-0.007840584718885445 0.023226880986079113 -0.013257465322015514 0.023226880986079113 -0.003737919554093646 0.0015041442239974048 -0.013257465322015514 0.0015041442239974048 0.010920359679985664" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06115000       0.39920000      -5.27734000       0.23583090      -1.74544048      -0.18143683
O       -1.53506000       2.69941000      -1.68036000       0.06625511      -0.38879166      -0.25800851
O       -0.06531000       2.10993000      -4.34928000       0.18408767       0.97565594       1.11473977
O       -1.64083000       1.22496000      -5.92128000      -0.58171560       0.35992210      -0.78919931
O       -0.36746000       0.04648000      -7.87266000       1.38818670       0.51014399      -0.29817242
O       -1.76414000       0.93791000     -10.48029000      -0.04604043       0.34076918       0.08481136
O       -1.58599000       2.67159000     -13.24154000       1.64665791      -0.67153273       1.35254913
O       -1.34880000       0.28451000     -15.79222000      -0.06652404      -0.08239655       0.22537729
Zn       0.08138000       1.72859000      -2.39410000      -0.00666023       0.35469911       0.19233214
Zn      -1.83158000       1.03823000      -8.40975000      -1.02434665      -0.36914262       0.04383391
Zn      -0.15575000       0.05151000     -11.08894000       0.11864703      -0.43353984      -0.53256030
Zn      -1.43473000       0.80355000     -13.79377000      -1.68491701       0.44085771      -0.78214328
Zn      -1.32493000       2.07502000     -16.46536000      -0.22946137       0.70879585      -0.17212294
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.65614386 magmom=2.2637906 free_energy=-65.66867509 stress="-0.005998561035799631 -0.002988907582242009 -0.004771865985775343 -0.002988907582242009 -0.011767062079951181 0.009928262760479797 -0.004771865985775343 0.009928262760479797 -0.007256481819210929" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06871000       0.35438000      -5.20852000       0.43005609      -1.79875635       0.88844331
O       -1.52119000       2.75434000      -1.89846000       0.75394476      -0.44950486       1.99706511
O       -0.07670000       2.11392000      -4.25369000       0.12076653       0.36293826      -0.96158421
O       -1.64142000       1.08368000      -5.87513000      -0.71093383       1.40980876      -1.53999065
O       -0.22824000       0.10281000      -8.09319000       0.05791046      -0.43153678       0.19996564
O       -1.82348000       1.06262000     -10.60269000      -0.25529912      -1.21582663       0.67777170
O       -1.40130000       2.61620000     -13.06353000       0.01618182       0.45853915      -1.12946930
O       -1.43266000       0.29656000     -15.76835000       0.28098122      -0.24017286      -0.04320449
Zn       0.17494000       1.78801000      -2.42269000      -0.64129554       0.05177592       0.53017086
Zn      -1.84020000       0.99340000      -8.28701000       0.08862074       0.51270750      -0.65313928
Zn      -0.27890000       0.04401000     -11.15288000       0.39885306       1.02990928       0.54364429
Zn      -1.38306000       0.83002000     -13.78477000      -0.19526467      -0.67770461       0.08751201
Zn      -1.37708000       2.06356000     -16.50610000      -0.34452152       0.98782321      -0.59718498
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.70329013 magmom=2.3324632 free_energy=-65.71686124 stress="-0.0014483188681416069 -0.02162459068507711 0.012408353037927441 -0.02162459068507711 -0.001839554092686958 0.001182166913067466 0.012408353037927441 0.001182166913067466 0.00029339202925410707" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06392000       0.22643000      -5.13435000      -0.40706369       0.39796585      -1.59313207
O       -1.36110000       2.71287000      -1.74923000      -0.33774583       0.39712798       0.06983282
O       -0.05896000       2.14500000      -4.35093000      -0.10912388      -0.69022294       1.86028292
O       -1.74834000       1.15362000      -5.96173000       0.71374512      -0.03801708      -0.58687704
O       -0.10205000      -0.00818000      -8.22941000      -1.33716852       1.01336403      -0.03397296
O       -1.95026000       0.97874000     -10.60101000      -0.01550661       0.25412925       0.03585250
O       -1.19049000       2.62774000     -13.08616000      -1.33675997      -0.17926404      -0.12010254
O       -1.45619000       0.26510000     -15.78309000       0.25840062       0.45888319       0.01771002
Zn       0.24032000       1.85197000      -2.41787000       0.05352042      -0.41626009      -0.04080004
Zn      -1.83523000       0.99434000      -8.21097000       1.24416714      -0.83976958      -0.20691009
Zn      -0.37901000       0.07866000     -11.19023000       0.56017137      -0.32748643       0.51982665
Zn      -1.34725000       0.82707000     -13.77499000       0.76843987      -0.17385566      -0.73214692
Zn      -1.44997000       2.10669000     -16.56782000      -0.05507604       0.14340552       0.81043673
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.2634476 magmom=2.4362671 free_energy=-65.27877119 stress="-0.013554258792739462 0.025411683843988845 0.013807108082100408 0.025411683843988845 0.010099664113136458 -0.013988735030229696 0.013807108082100408 -0.013988735030229696 -0.01728612368976593" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07439000       0.08646000      -5.16303000      -0.19122355       2.39847985       0.07400173
O       -1.21350000       2.76650000      -1.62105000      -0.83676545       0.57334335      -1.37782025
O       -0.06624000       2.06273000      -4.23890000      -0.08386225      -0.38538703      -0.18714653
O       -1.76185000       1.22630000      -6.03018000       0.41894686      -2.27072261      -0.62087514
O       -0.32130000       0.04925000      -8.33487000       3.35996610      -1.63416742      -0.12158593
O       -2.09674000       0.91054000     -10.59753000       0.63673325       0.94032307      -0.39783939
O       -1.24104000       2.62646000     -13.20701000      -0.66977912       0.17085001       0.48474958
O       -1.43179000       0.33368000     -15.82694000      -0.44499341       0.55564524       0.50789094
Zn       0.32067000       1.90319000      -2.38936000       0.62910563      -0.45790943       0.76248401
Zn      -1.74258000       0.95960000      -8.15914000      -3.47320628       1.78215932      -0.10307527
Zn      -0.47123000       0.10785000     -11.19459000       0.06233427      -1.00520799       0.41362814
Zn      -1.26163000       0.80545000     -13.79818000      -0.00440305      -0.43029450      -0.89977273
Zn      -1.54317000       2.16934000     -16.57460000       0.59714699      -0.23711187       1.46536083
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.36476233 magmom=2.3250657 free_energy=-65.37837508 stress="0.0011761491058701636 0.0034700058831366514 -0.017271587570777763 0.0034700058831366514 -0.026315829255420878 0.010016603894760816 -0.017271587570777763 0.010016603894760816 -0.0033918887839509784" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09912000       0.01058000      -5.23357000       0.16431660       0.51821149       1.53558693
O       -2.81991000       0.15823000      -1.76816000       0.02408844      -1.17665211       1.59341119
O       -0.10454000       1.89279000      -4.22268000       0.27739816      -0.07327194      -0.65435341
O       -1.68386000       0.97587000      -6.02223000      -0.16557932      -0.44708539      -0.93509230
O       -0.03919000       0.02799000      -8.42090000      -2.03126847      -0.67436521       0.05768747
O       -2.14805000       1.04235000     -10.70758000      -0.01870871      -0.31388667      -0.18867935
O       -1.44221000       2.59294000     -13.23920000       1.94962841      -1.06148849       0.82122633
O       -1.49510000       0.53503000     -15.81533000      -0.37844215      -0.99339266      -0.07365598
Zn       0.45802000       1.94749000      -2.29950000      -0.68808219       0.78264440      -1.01601085
Zn      -1.77121000       0.94671000      -8.13115000       1.79385454       0.67431834      -0.12727462
Zn      -0.57668000       0.08720000     -11.16958000       0.70135156       0.11880677       0.08394537
Zn      -1.16038000       0.76893000     -13.88213000      -2.41179342       1.11176946      -0.25867041
Zn      -1.62830000       2.24602000     -16.48961000       0.78323656       1.53439201      -0.83812036
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.78792191 magmom=2.3505093 free_energy=-64.80246601 stress="0.01050939744807441 -0.014340448207593769 -0.011781705634035926 -0.014340448207593769 -0.058530453142660165 0.005607242824148942 -0.011781705634035926 0.005607242824148942 -0.010054539138110984" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11226000      -0.03794000      -5.23499000       1.01901298      -1.77191622       0.43695346
O       -2.80581000       0.16055000      -1.69714000       1.02057918      -0.01243842       0.82561078
O       -0.09161000       1.73500000      -4.39488000       0.31222296       0.53192907       2.03080394
O       -1.64601000       0.68010000      -6.03235000      -0.97851260       1.55098717      -1.57009896
O       -1.61141000       2.66367000      -8.46116000      -0.84112413       2.52102422      -0.30026298
O       -2.19072000       1.06966000     -10.85030000      -0.33907371      -0.98387952       0.45799787
O       -1.34028000       2.45679000     -13.18090000       0.00989864       1.20313844      -0.63825079
O       -1.63831000       0.55813000     -15.85503000       0.12041197      -0.09426546      -0.07711091
Zn       0.54924000       2.00939000      -2.24577000      -1.87320651      -0.53397698      -1.70136017
Zn      -1.75734000       0.96617000      -8.13625000       0.68675780      -2.55222423       0.24445252
Zn      -0.63854000       0.08072000     -11.13905000       0.87014185       0.71323966      -0.33647056
Zn      -1.16196000       0.76387000     -13.95406000      -0.50719595      -1.01679092       1.24052546
Zn      -1.66515000       2.38179000     -16.43366000       0.50008751       0.44517319      -0.61278966
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.05892401 magmom=2.3755039 free_energy=-65.07443082 stress="-0.03556266340445654 0.006795766539498865 0.01350030174525937 0.006795766539498865 0.021544687802749395 -0.012001910863234587 0.01350030174525937 -0.012001910863234587 -0.010340147999243605" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51444000       2.63997000      -5.24170000       0.12528213      -0.99977250       0.13019087
O       -2.62672000       0.11656000      -1.53222000      -0.98968597       0.11656263      -0.97806247
O       -0.01204000       1.64416000      -4.27761000      -0.22213508       0.47751682       0.71003102
O       -1.72464000       0.63062000      -6.12566000       0.43535913       0.95204299       0.12151935
O       -0.21492000       0.07441000      -8.45501000       2.77841864      -1.90962562      -0.63177003
O       -2.28741000       0.93119000     -10.89081000       1.00976578       1.36085687       0.42562829
O       -1.20478000       2.53755000     -13.27796000      -0.51503146       0.13391764      -0.48765201
O       -1.69840000       0.56774000     -15.90503000       1.16278065       1.34357315       1.26249807
Zn       0.54564000       2.04725000      -2.27049000       0.05955507      -0.69875907      -0.58877824
Zn      -1.69396000       0.90315000      -8.15991000      -2.98613602       1.73058166       0.30823584
Zn      -0.64777000       0.10207000     -11.12499000      -0.38605327      -1.30277965      -0.23347773
Zn      -1.20313000       0.71756000     -13.95019000      -0.21706733      -0.23204395       0.68329035
Zn       1.53582000       2.53739000     -16.40669000      -0.25505227      -0.97207098      -0.72165331
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.22612526 magmom=2.6138199 free_energy=-65.24042399 stress="-0.004035456613248816 -0.00868341519866472 0.011481103594443362 -0.00868341519866472 -0.007636129937965951 -0.0071046547691578955 0.011481103594443362 -0.0071046547691578955 -0.02052656046970574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.66365000       2.46612000      -5.22517000      -0.04294880       1.26601811       1.48471779
O       -2.63123000       0.10595000      -1.57929000      -1.03534158       0.28777559       0.25765503
O        0.04241000       1.61151000      -4.12393000      -0.55014057      -0.04539005      -1.34528410
O       -1.74468000       0.73213000      -6.03592000       0.77450813      -1.02476581      -0.81751185
O       -0.03336000       0.00034000      -8.52641000      -1.89825903      -0.87573503       0.06888231
O       -2.22823000       1.05130000     -10.85085000      -0.06831876      -0.88433167      -0.26919495
O       -1.22444000       2.64772000     -13.49894000      -1.08120214      -1.31708041       1.04554743
O       -1.56364000       0.85750000     -15.77538000      -0.55158234      -0.24771312      -0.86579180
Zn       0.53939000       2.04840000      -2.31681000       0.42066532      -0.51651859       0.29701746
Zn      -1.74252000       0.89468000      -8.20335000       1.54128463       0.73395022       0.25725273
Zn      -0.65720000       0.06138000     -11.11832000       0.70982625       0.91323939       0.13602697
Zn      -1.25069000       0.65696000     -13.89497000       0.60612804       1.33493513       0.47646926
Zn       1.52315000       2.65492000     -16.41229000       1.17538086       0.37561625      -0.72578630
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.7731798 magmom=2.5875593 free_energy=-64.78707579 stress="0.004957484160537815 -0.0023323560158642906 -7.688528742760694e-05 -0.0023323560158642906 -0.07908671055050763 0.0022169792854837794 -7.688528742760694e-05 0.0022169792854837794 -0.017536578705018638" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.62428000       2.34514000      -5.13379000       0.21858454       2.54198573      -0.41803817
O       -2.83150000       0.16652000      -1.67928000       1.04216967       0.24702488       0.40255827
O        0.00253000       1.59433000      -4.27895000      -0.03712625      -0.53710273       1.76207326
O       -1.62290000       0.67652000      -5.92120000       0.07851233      -1.65769061      -1.66040971
O       -1.62031000       2.58702000      -8.58165000      -0.77775768       3.14187845       0.03582845
O       -2.15565000       1.01831000     -10.85213000      -0.83231672      -0.40303794      -0.31331016
O       -1.39304000       2.49710000     -13.52182000       0.90713664       0.44801651       1.23737641
O       -1.50169000       1.09095000     -15.78844000      -0.39986719      -1.72810127      -0.39504321
Zn       0.54558000       2.01802000      -2.34136000      -1.57552543      -0.52219354      -0.56544832
Zn      -1.77275000       0.90831000      -8.25839000       0.56264436      -3.11259416       0.61096427
Zn      -0.63169000       0.05665000     -11.10591000       1.38520035       0.15681046       0.11011486
Zn      -1.29730000       0.66151000     -13.81169000      -1.33658036       0.11374573      -0.52333762
Zn      -0.03393000       0.01773000     -16.43026000       0.76492574       1.31125849      -0.28332832
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.1793996 magmom=2.5037412 free_energy=-65.19370783 stress="-0.04672393991282987 -0.006487699305467234 -0.00548523249303926 -0.006487699305467234 -0.004841407825640892 0.0019574709050703934 -0.00548523249303926 0.0019574709050703934 -0.0057508392585327636" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58195000       2.33187000      -5.08016000       0.07873247       0.40878566      -1.89305183
O       -2.85480000       0.22883000      -1.75359000       0.32820136      -1.42797842       0.64856936
O       -0.02432000       1.50816000      -4.25367000       0.81238276      -0.67639399       1.32583172
O       -1.49385000       0.42523000      -5.96330000      -0.89126714       0.80465167      -0.34416759
O       -0.21735000       0.03420000      -8.52967000       1.79115162      -1.83439988      -0.17424553
O       -2.20084000       0.88611000     -10.90913000       1.53838337       1.48314378       0.39955714
O       -1.39846000       2.47245000     -13.29086000      -0.42781353       0.82980141       0.01079945
O       -1.54724000       1.01356000     -15.91898000       0.08786940       0.70377714       0.80908365
Zn       0.48557000       1.97509000      -2.36895000      -0.69191524       1.08367740      -0.24075438
Zn      -1.75688000       0.81979000      -8.30212000      -1.92570251       1.61350238       0.64550269
Zn      -0.54584000       0.06609000     -11.08884000      -0.79220734      -1.52439232      -0.14664468
Zn      -1.40491000       0.66540000     -13.75469000      -0.11972639      -0.44811490      -0.73402137
Zn       0.05426000       0.21514000     -16.47128000       0.21191117      -1.01605993      -0.30645864
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.56855029 magmom=2.5320547 free_energy=-65.58263408 stress="-0.015272899649341832 -0.009375108003073914 -0.004997084981805771 -0.009375108003073914 -0.0024298333588566117 -0.0016811892553113457 -0.004997084981805771 -0.0016811892553113457 -0.004528136820756684" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.54435000       2.33949000      -5.13633000       0.25703592      -1.12433805      -0.06934620
O       -2.79191000       0.05936000      -1.73606000      -0.50357456       0.24177163       0.68385279
O        0.05518000       1.34038000      -4.15243000      -0.06253032       0.54034550      -0.83323097
O       -1.51909000       0.35080000      -5.95336000      -0.35719603       0.98427446      -0.54131074
O        1.45452000       2.70950000      -8.51211000      -1.02059846      -0.61575295      -0.03478461
O       -2.04571000       1.01605000     -10.87560000      -0.14305840      -1.48325685       0.84384692
O       -1.48817000       2.61477000     -13.11685000      -0.48450102      -0.56441041      -0.75913336
O       -1.51668000       1.06687000     -15.87977000       0.72499708       0.72886673       1.10563227
Zn       0.40280000       1.98092000      -2.38138000       0.33840836      -0.28958208       0.41512893
Zn      -1.81077000       0.81232000      -8.32544000       0.97404048       0.53675567       0.33679189
Zn      -0.48352000       0.01231000     -11.07888000       0.72809150       1.27008898      -0.24380901
Zn      -1.50009000       0.65068000     -13.74273000       0.07594318       0.97123987      -0.60710610
Zn       0.12453000       0.32806000     -16.51367000      -0.52705772      -1.19600251      -0.29653181
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50665327 magmom=2.4840161 free_energy=-65.52081929 stress="0.0004972526559538723 0.00219549664770642 0.010997434185003933 0.00219549664770642 -0.015870979509926452 -0.006566614543873889 0.010997434185003933 -0.006566614543873889 -0.004180502020217721" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.50281000       2.30239000      -5.21436000      -0.67294229      -0.92479848       0.35219522
O       -1.23975000       2.71500000      -1.65967000      -0.41978660       0.79659800      -0.19957874
O        0.11068000       1.27301000      -4.27174000      -0.27223205       1.47941002       1.39244077
O       -1.59064000       0.43215000      -5.91797000       0.97949451       0.06798852      -1.56950194
O        1.47658000       2.55575000      -8.44082000      -0.84265584       2.34923470       0.34507006
O       -1.92072000       0.91873000     -10.66397000      -0.86110084       0.06820366       0.31645385
O        1.56240000       2.63986000     -13.11824000       0.60029606      -0.37184212       0.17271717
O       -1.34476000       1.26718000     -15.66803000      -0.43795111      -0.33035403      -0.95329263
Zn       0.34664000       1.97679000      -2.36463000       0.28968624      -1.09131125      -0.82733435
Zn      -1.85206000       0.81633000      -8.34553000       0.83253446      -2.29469982      -0.04062263
Zn      -0.38967000       0.00331000     -11.08362000       1.21956706      -0.37394379      -0.29189114
Zn      -1.58847000       0.68719000     -13.76151000      -0.73997123       0.77463309      -0.34827839
Zn       0.16187000       0.36742000     -16.54762000       0.32506164      -0.14911849       1.65162275
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6849718 magmom=2.192776 free_energy=-65.69481061 stress="-0.010453902786096628 0.011961651387991594 -0.005811962469749703 0.011961651387991594 0.0186661917929292 -0.007195060032921934 -0.005811962469749703 -0.007195060032921934 -0.0022663651577857304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48416000       2.23133000      -5.29024000      -0.36372524       1.67412440       0.80123583
O       -1.37269000       2.76299000      -1.65126000       0.56477341       0.56622018      -0.16221110
O        0.10542000       1.44370000      -4.26813000       0.09897813      -0.19404098      -0.01680241
O       -1.53018000       0.51113000      -6.02211000       0.09171677      -1.07557118      -0.65905691
O       -0.30619000      -0.03729000      -8.21511000       2.33939108      -2.01262348       0.64668421
O       -1.92075000       0.77335000     -10.39332000       0.91414644       0.85881270      -0.92159691
O        1.49235000       2.59275000     -13.12028000      -0.00817765       0.69379733       0.46273961
O       -1.25877000       1.40505000     -15.66267000      -0.46050387      -0.95297415      -0.47272951
Zn       0.30301000       1.91538000      -2.37010000      -0.58904674      -0.44489147      -0.16704759
Zn      -1.84394000       0.73557000      -8.38389000      -2.05459524       1.78421615      -0.14195949
Zn      -0.23966000      -0.01156000     -11.10064000      -0.81200838      -0.87377504       0.02901276
Zn      -1.71357000       0.76491000     -13.79593000       0.01197332      -0.26187204      -0.17458010
Zn       0.21713000       0.39590000     -16.48701000       0.26707796       0.23857758       0.77631162
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.82632133 magmom=2.0028429 free_energy=-65.8318676 stress="0.021852222330218638 -0.0007019611916683887 0.0015544365319451804 -0.0007019611916683887 -0.0031041149804799354 0.006982024562569376 0.0015544365319451804 0.006982024562569376 0.0005777633863723397" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48666000       2.22098000      -5.35422000      -0.15707574       1.73793257      -0.06338232
O       -3.00297000       0.10842000      -1.68845000       0.11378992      -1.20143387       0.88394203
O        0.10115000       1.61708000      -4.31724000       0.31629175      -0.93341948       0.06596821
O       -1.46559000       0.49436000      -6.06802000      -0.45318310      -0.37100667       0.27369797
O        1.40702000       2.59263000      -7.88281000      -0.39953710      -0.34375298      -0.53418653
O       -1.76838000       0.80681000     -10.36083000       0.25343791       0.29185049      -1.13818170
O        1.43652000       2.67034000     -13.07769000      -0.20999358       0.36196669      -0.71017757
O       -1.28952000       1.34543000     -15.78200000      -0.54558395      -0.32357167       0.87393151
Zn       0.23596000       1.83969000      -2.37589000      -0.12043874       1.42196389      -0.16266795
Zn      -1.88856000       0.72891000      -8.43247000       0.79536481       0.13324342       0.76592294
Zn      -0.12429000      -0.07047000     -11.10564000      -0.29080085      -0.30431616       0.70030766
Zn      -1.83539000       0.83235000     -13.83059000       0.55265200      -0.01086442       0.23856082
Zn       0.28610000       0.43308000     -16.38026000       0.14507667      -0.45859183      -1.19373508
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.37362684 magmom=2.0005709 free_energy=-65.37364305 stress="0.007711466756911499 -0.0025638476099775582 0.0019671800655949256 -0.0025638476099775582 -0.028621857643324318 -0.0012233738556372774 0.0019671800655949256 -0.0012233738556372774 0.03376011721665986" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.50105000       2.28549000      -5.45750000      -0.17476966       1.74005732       0.51638848
O       -2.99753000       0.03060000      -1.61895000      -0.22276014      -0.17887697      -0.02281130
O        0.13575000       1.61445000      -4.39518000      -0.16779252      -0.88283933       0.82201262
O       -1.50906000       0.51070000      -5.91668000      -0.02263817      -0.52551847      -1.05067731
O       -1.64497000       2.35517000      -7.60018000       0.23587559       1.22525177      -0.90169172
O       -1.58550000       0.87705000     -10.52173000      -0.68695585      -0.99991594       1.35602879
O       -0.25577000       0.02492000     -13.13805000      -0.04484348      -0.33595479       0.40868531
O       -1.36665000       1.24058000     -15.74074000       1.26637620       0.84799918       0.47515598
Zn       0.16949000       1.83407000      -2.37893000       0.19446475       0.39876060      -0.02428955
Zn      -1.91356000       0.72914000      -8.45091000       0.36325732      -1.19348739       0.40348515
Zn       1.56327000       2.65423000     -11.10517000       0.29684073       0.89576570      -1.09831919
Zn      -1.91428000       0.89119000     -13.84452000       0.57735660       0.43365830       0.53807211
Zn      -2.87700000       0.43024000     -16.34140000      -1.61441138      -1.42489998      -1.42203937
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35332713 magmom=1.9998349 free_energy=-65.35332782 stress="0.005624589669458745 0.0016346770175015154 0.010673302142844501 0.0016346770175015154 0.010844164896954164 0.0036863045330488946 0.010673302142844501 0.0036863045330488946 0.03517742379854355" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.53078000       2.42335000      -5.54476000      -0.21935348      -0.68869575       2.51855732
O       -1.44355000       2.67735000      -1.56225000      -0.31296155       0.68545687      -0.39751262
O        0.14006000       1.44872000      -4.34640000      -0.25949781       0.38655242      -0.03911300
O       -1.55038000       0.53082000      -5.87378000       0.64269874       0.51816015      -1.33284242
O       -1.46975000       2.36009000      -7.51886000      -1.00204502      -0.32356755      -1.51114006
O       -1.55144000       0.76618000     -10.40537000      -0.28202342       0.09040558       0.42322587
O       -0.33948000       0.09544000     -13.12452000       0.52557830      -0.38516963       1.04420767
O       -1.24054000       1.28826000     -15.61601000      -0.43857401      -0.11736012      -0.62744681
Zn       0.11537000       1.85839000      -2.38430000       0.34407986      -0.51088569      -0.14846684
Zn      -1.90872000       0.67370000      -8.44714000       1.00876391       0.42345989       0.67429307
Zn      -1.55465000       2.62281000     -11.14347000      -0.18913957       0.02222615      -0.64527787
Zn      -1.96151000       0.97250000     -13.82700000       0.07066062       0.25290221       0.32063306
Zn      -2.89574000       0.36175000     -16.37574000       0.11181341      -0.35348452      -0.27911738
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.83644621 magmom=1.9706365 free_energy=-64.83789389 stress="0.023824150155767894 -0.0014348985000493149 -0.004597755718293902 -0.0014348985000493149 0.013615837247149026 0.0041056730354206905 -0.004597755718293902 0.0041056730354206905 -0.004168450926880484" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.57225000       2.56090000      -5.52439000       0.89492784      -1.76790696       0.56982632
O       -1.57167000       2.66436000      -1.59069000       0.35286757       0.59432750      -0.31815091
O        0.08684000       1.31896000      -4.30437000       0.04594919       1.33374213       0.12852789
O       -1.50505000       0.64131000      -6.04747000      -0.90450187       0.09946071      -0.00376740
O       -1.50024000       2.33109000      -7.62727000      -1.14618211       0.57958846       0.03573907
O       -1.57504000       0.60859000     -10.20089000       0.60041623       0.40538010      -2.76765690
O       -0.33889000       0.10073000     -12.91342000      -0.24528460       0.47170331      -2.19280261
O       -1.14772000       1.32652000     -15.57975000      -0.59837199      -0.85198869       0.07341205
Zn       0.06565000       1.85946000      -2.39459000      -0.25086826      -0.59975493      -0.45106273
Zn      -1.83883000       0.62217000      -8.40364000       0.91852008       0.10274700       1.52215343
Zn      -1.43929000       2.60252000     -11.21682000      -0.12815378      -0.48587799       3.08111148
Zn      -2.01020000       1.08971000     -13.78285000       0.31748834      -0.34638270       0.06184027
Zn      -2.92596000       0.24881000     -16.44082000       0.14319334       0.46496205       0.26083001
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31233481 magmom=2.0001627 free_energy=-65.31311378 stress="0.015396170084970448 0.009084521488481328 -0.004940511668462364 0.009084521488481328 0.001648889064852843 -0.0036157705741002412 -0.004940511668462364 -0.0036157705741002412 0.025256199899980465" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58642000       2.63302000      -5.49058000      -0.19902617      -1.10925323       0.08237356
O       -0.04071000       0.00987000      -1.70517000       0.41641254      -0.29357843       0.29067277
O        0.02736000       1.41534000      -4.31407000       0.00689531       1.37162185      -0.73060598
O       -1.57303000       0.76051000      -6.12852000      -0.34242729      -0.56923718       1.14773628
O        1.40881000       2.44227000      -7.69404000       1.62226359       0.08087205      -0.63677423
O       -1.44659000       0.54405000     -10.40259000       0.95074033       1.06521130       1.03801867
O       -0.35376000       0.20246000     -13.01379000       0.24012632       0.41031272       0.27684213
O       -1.19086000       1.18649000     -15.57852000      -0.71525625      -0.33123786      -0.93810811
Zn      -0.00765000       1.82725000      -2.42152000      -0.23600296       0.31452935       0.00769762
Zn      -1.69275000       0.56334000      -8.30013000      -0.84771410       0.42522473      -0.99412370
Zn      -1.32238000       2.54667000     -11.17266000      -1.53167918      -0.76616786       0.09612839
Zn      -2.05207000       1.21319000     -13.72724000       0.48871583      -0.78310049      -0.64870305
Zn      -2.95305000       0.13089000     -16.49777000       0.14695203       0.18480305       1.00884565
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.63035069 magmom=2.015207 free_energy=-65.63221179 stress="-0.003966446343990991 -0.0011980961618585618 0.0060261013390515705 -0.0011980961618585618 -0.007288265737000574 0.014544187986193838 0.0060261013390515705 0.014544187986193838 0.038617488413422246" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.61470000       2.64460000      -5.48644000      -1.05228234      -0.60157499       0.98952439
O       -0.03588000       0.05204000      -1.78540000      -0.08076812      -0.85663848       0.37248057
O       -0.03056000       1.70832000      -4.46468000      -0.10231778       0.13483323       0.56033960
O       -1.67889000       0.76188000      -5.93900000       1.10103849       0.24067176      -1.47331399
O       -1.66925000       2.51261000      -7.71867000       0.76908971      -0.61781824       0.18751555
O       -1.21550000       0.66205000     -10.45183000      -0.93120903      -0.24614684       0.88289790
O       -0.34755000       0.35624000     -13.11863000      -0.14576709      -0.54439940       0.86341585
O       -1.38003000       0.98565000     -15.74451000      -0.47878572       0.13081772      -0.22958179
Zn      -0.08385000       1.81620000      -2.44800000       0.22349686       0.83871576      -0.35985212
Zn      -1.62703000       0.54260000      -8.26722000      -0.39422232       1.01121096      -0.88966918
Zn      -1.27088000       2.46644000     -11.10516000       0.11171717       0.58034021      -0.26922257
Zn      -2.06037000       1.29085000     -13.70850000       1.12214494      -0.08180529      -1.11163617
Zn      -2.96989000       0.03730000     -16.49997000      -0.14213478       0.01179361       0.47710197
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.36131519 magmom=1.9999911 free_energy=-65.36142294 stress="0.006801978744739402 -0.023348947709223748 -0.0055862077587494905 -0.023348947709223748 -0.018293397300583058 0.015164133032891653 -0.0055862077587494905 0.015164133032891653 0.0328476394716844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.66909000       2.62848000      -5.46469000       0.52953959       0.66931616      -0.01217121
O        1.54268000       2.73949000      -1.80417000      -0.50020048       0.46407832       0.25257960
O       -0.08054000       1.90585000      -4.48964000       0.31891338      -1.21969348       1.31672233
O       -1.64206000       0.80400000      -5.95128000      -0.35674506      -0.18688723      -0.91496701
O       -1.40089000       2.38814000      -7.62928000      -1.61336739       0.60312987      -0.46409769
O       -1.19796000       0.69473000     -10.30925000      -0.54565390      -0.75075375      -0.07013786
O       -0.34689000       0.38003000     -13.03415000       0.32096900      -0.25149497       0.22346184
O       -1.55656000       0.89329000     -15.87996000       1.20352655       0.83782352       1.47203602
Zn      -0.12499000       1.84063000      -2.47757000       0.60309875      -0.34689190      -0.12376020
Zn      -1.60434000       0.59155000      -8.30357000       1.31977062       0.18765449      -0.05342853
Zn      -1.23869000       2.43853000     -11.07057000      -0.12454540       1.06341495       0.01706603
Zn      -2.01777000       1.33571000     -13.74735000       0.50327427      -0.46135256      -0.76203554
Zn      -3.00108000      -0.03483000     -16.48239000      -1.65857993      -0.60834343      -0.88126779
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.7086212 magmom=2.0003088 free_energy=-65.70881045 stress="0.03770880432010858 -0.009014206743816195 -0.00891714934828239 -0.009014206743816195 0.016334029388677996 0.006963601874573054 -0.00891714934828239 0.006963601874573054 0.010956712232659238" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52415000       2.64433000      -5.46624000       0.72991217       0.42001601       0.32404120
O        1.43084000       2.72907000      -1.74626000       0.48021242       0.47368835       0.34659767
O       -0.07056000       1.84981000      -4.34081000       0.02182890      -0.46198032      -1.77168535
O       -1.64917000       0.81526000      -6.04466000      -0.32013894      -0.74103724       0.47482575
O       -1.51021000       2.45088000      -7.59491000      -0.30464081       1.12685040      -0.97194085
O       -1.31150000       0.56690000     -10.20076000       0.37601139       0.47161043      -1.40728484
O       -0.27158000       0.33146000     -12.88680000       0.47194711      -0.07410505      -0.54074241
O       -1.52754000       0.93418000     -15.71078000      -0.24049748      -0.78040548      -0.04025312
Zn      -0.13640000       1.84928000      -2.50037000      -0.32588229      -0.34916000       1.24479781
Zn      -1.50761000       0.64750000      -8.34280000      -0.09835323      -0.33636573       1.68604049
Zn      -1.21718000       2.47070000     -11.04119000      -0.80048188      -0.13275453      -0.15119764
Zn      -1.94165000       1.35217000     -13.82829000       0.10376853      -0.51552145       0.94881001
Zn      -3.11033000      -0.12341000     -16.50540000      -0.09368589       0.89916462      -0.14200872
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.9984887 magmom=2.0030848 free_energy=-64.99923107 stress="-0.029163672951780475 0.007883419821525834 -0.019684113143688686 0.007883419821525834 0.024180397639715703 0.0012974880690507205 -0.019684113143688686 0.0012974880690507205 -0.003074427379635872" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54066000       2.66997000      -5.50431000      -0.52097621      -1.32277519       0.53929879
O       -0.22819000       0.04260000      -1.63733000       0.36523994      -0.29423693      -1.43078717
O       -0.04595000       1.65184000      -4.45875000      -0.30427106       0.52040787       1.18379897
O       -1.70894000       0.71090000      -5.97243000       1.06432491       1.31430836      -0.96215293
O       -0.02552000      -0.02834000      -7.61176000       3.28628332      -2.33103270       0.82221935
O       -1.34969000       0.52689000     -10.29880000       0.94807882       1.21905809       0.83852622
O       -0.05590000       0.24560000     -12.84743000       0.03615052       0.13633802      -1.29699852
O       -1.49194000       0.82888000     -15.59137000      -0.42439676      -0.28036717      -2.27617666
Zn      -0.16361000       1.83955000      -2.47039000      -0.22437188       0.18363185      -0.41514346
Zn      -1.40755000       0.71447000      -8.33011000      -3.43514004       1.80331789      -0.98106656
Zn      -1.24591000       2.50576000     -11.01872000      -1.23246379      -0.81255051      -0.61501116
Zn      -1.83710000       1.34534000     -13.85597000      -0.02057323      -0.25023062       2.63823268
Zn       1.54759000       2.59854000     -16.54503000       0.46211546       0.11413103       1.95526046
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.28027691 magmom=1.9985091 free_energy=-65.28047797 stress="-0.009622570838851676 -0.0032175351225796644 -0.0025184141233974998 -0.0032175351225796644 -0.023860039819400165 -0.011406777968632808 -0.0025184141233974998 -0.011406777968632808 0.02749425806625776" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.66303000       2.63056000      -5.55174000       1.23807052      -0.20556669       1.68933826
O       -0.19880000       0.07380000      -1.78003000       0.09446704      -1.15029371       0.58727582
O       -0.06424000       1.53906000      -4.45960000       0.25078478       1.22206941       0.61693430
O       -1.60740000       0.78188000      -5.96383000      -0.39754839      -0.26571731      -0.91973108
O       -1.33227000       2.69702000      -7.55568000      -1.57363888      -0.52020466      -1.86083362
O       -1.23062000       0.73035000     -10.28956000      -0.66154913      -0.22659133      -0.38514394
O       -3.01510000       0.18646000     -13.03800000      -0.82055232       0.43579731       0.95533807
O       -1.61593000       0.68382000     -15.85377000      -1.73697035       0.95060485       1.51103134
Zn      -0.20902000       1.84237000      -2.44357000       0.04929827       0.76802601      -0.70282171
Zn      -1.42469000       0.86322000      -8.33578000       0.49415452      -0.05456890       1.10965464
Zn      -1.33655000       2.50935000     -11.02856000       0.51252877       0.61444208      -0.26844560
Zn      -1.71554000       1.31082000     -13.76297000       0.88843940      -1.23362052      -1.32135063
Zn       1.40503000       2.51793000     -16.49218000       1.66251577      -0.33437655      -1.01124586
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.51899181 magmom=2.0001652 free_energy=-65.51902882 stress="0.011765597291381972 -0.015240622546225586 -0.004702309484604857 -0.015240622546225586 -0.03903565860221545 -0.012516235376089193 -0.004702309484604857 -0.012516235376089193 0.030163906908009228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.60050000       2.59711000      -5.52476000       0.83859622       0.69092486       1.26783458
O        1.42285000       2.72341000      -1.84198000      -0.70395595       0.57570788       1.12346625
O       -0.03258000       1.65410000      -4.40052000       0.28054492       0.25905122      -0.74776249
O       -1.54442000       0.79093000      -6.05118000      -0.39968372      -0.68321519      -0.17210206
O       -1.30258000       2.61690000      -7.68065000      -0.91379128       2.38625830      -0.02184145
O       -1.24196000       0.84169000     -10.30007000      -0.54513455      -0.94853503      -0.18861790
O       -2.98798000       0.20211000     -13.03268000      -1.07127986      -0.02505505       0.42875185
O       -1.96051000       0.68209000     -15.82785000       1.00101724      -0.33321928       1.03271962
Zn      -0.23819000       1.86895000      -2.44784000       0.67115115      -0.69690412      -0.39175901
Zn      -1.43365000       0.96469000      -8.31543000       0.19438630      -2.60099035      -0.41244208
Zn      -1.39024000       2.54351000     -11.05611000       0.43349078       1.21854716      -0.05061514
Zn      -1.57511000       1.23198000     -13.73969000       0.74936656      -0.68380699      -0.92362611
Zn       1.35180000       2.45379000     -16.48257000      -0.53470782       0.84123657      -0.94400605
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.92778633 magmom=2.0008328 free_energy=-65.93020021 stress="-0.007113358871950906 0.003532599749941377 -0.011771975845323732 0.003532599749941377 0.031666062350021784 0.004043978295454604 -0.011771975845323732 0.004043978295454604 0.01653944920053099" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.50299000       2.60347000      -5.46671000      -0.69938218       0.45816451      -0.14016368
O        1.33589000       2.69493000      -1.68983000       0.37494391       0.50423186      -0.73571038
O        0.05445000       1.80143000      -4.46849000       0.04168430      -0.81226398       1.28259438
O       -1.54051000       0.72055000      -6.06314000       0.54553833       0.97556238      -0.25181960
O       -3.10342000       0.09218000      -7.75422000       0.88584011      -1.27266053      -0.15728684
O       -1.37988000       0.76879000     -10.33717000      -0.34898261       0.34960658       0.21699920
O        0.04419000       0.21013000     -12.95353000       0.69654681      -0.47605400      -0.68673713
O       -2.06786000       0.64412000     -15.61133000       0.90547021       0.21254316      -0.79287023
Zn      -0.23697000       1.86246000      -2.47082000      -0.22456949      -0.52781817      -0.29713830
Zn      -1.42678000       0.94916000      -8.31651000      -0.96115025       0.51909812      -0.46480803
Zn      -1.41011000       2.62756000     -11.07933000       0.18104491      -0.05908811       0.55759561
Zn      -1.42433000       1.13176000     -13.76618000      -0.92079329       0.01014712       0.21692553
Zn       1.28804000       2.43745000     -16.51249000      -0.47619074       0.11853106       1.25241946
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.97976716 magmom=2.0028106 free_energy=-65.98291849 stress="-0.0001225829271568909 -0.001743991014302036 -0.012462057610121882 -0.001743991014302036 0.02371052883734602 -0.003335484933821848 -0.012462057610121882 -0.003335484933821848 0.013869586493469322" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.43589000       2.64513000      -5.46215000      -0.43273912       0.99616715       0.82029541
O       -0.28712000      -0.00316000      -1.67379000       0.37195023      -0.17558256      -0.21687957
O        0.13920000       1.80434000      -4.36960000       0.00714154      -0.29222032      -0.51348975
O       -1.45756000       0.82779000      -5.98193000       0.15176460      -0.21080844      -0.83253393
O       -3.09886000       0.10142000      -7.73720000       0.31709927      -1.07215420      -0.02822214
O       -1.55398000       0.77402000     -10.32897000       1.26508513       0.89648059       0.14454068
O        0.03683000       0.08261000     -12.99526000       1.22036845      -0.71649396       0.14700147
O       -1.95965000       0.64502000     -15.59241000       0.08874916      -0.05658661      -1.13655707
Zn      -0.24379000       1.82594000      -2.49789000      -0.30444887       0.08441271       0.84239790
Zn      -1.47578000       0.94955000      -8.35877000      -0.21815698       0.46058006       0.18271465
Zn      -3.02993000      -0.08099000     -11.05710000      -1.25053110      -0.64943386      -0.07213700
Zn      -1.33325000       1.03800000     -13.78332000      -1.38937771       0.40165118       0.15766929
Zn       1.19876000       2.43235000     -16.47648000       0.17309541       0.33398826       0.50520005
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.3787903 magmom=1.9999461 free_energy=-65.378865 stress="0.02138132380991488 0.00829052010718243 0.007423782207020956 0.00829052010718243 -0.04195307940920867 -0.013686963806181637 0.007423782207020956 -0.013686963806181637 0.027088350252127212" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.97993000      -0.02950000      -5.44193000       0.42023336       0.24202784       0.55395809
O       -0.22147000       0.04581000      -1.76257000      -0.12113337      -1.19680685       0.99306897
O        0.24158000       1.73977000      -4.36439000       0.00555357       0.54762199      -0.34540050
O       -1.34026000       0.94252000      -5.93580000      -0.51573488      -1.20836285      -0.73472229
O       -1.32384000       2.62862000      -7.60845000      -0.37936902       1.69057318      -0.52398801
O       -1.52091000       0.96784000     -10.32785000       0.19631769      -0.49677935      -0.88996390
O       -1.30567000       2.59985000     -13.06079000      -0.24320521       1.96814237       0.24929391
O       -1.83489000       0.66240000     -15.80557000      -1.70385867       0.74845115       1.71776961
Zn      -0.27105000       1.79075000      -2.48196000       0.10071615       0.96274420       0.25723708
Zn      -1.57097000       0.98047000      -8.41215000       0.30655412      -1.19380310       1.44831927
Zn      -3.11265000      -0.01456000     -11.04832000      -0.03502558       0.30589180      -0.01537197
Zn      -1.30298000       0.92990000     -13.79597000      -0.28358144      -1.94465093      -0.47183234
Zn       1.11054000       2.44022000     -16.40049000       2.25253327      -0.42504947      -2.23836791
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.06363424 magmom=1.9996084 free_energy=-65.06372637 stress="-0.0030393754638414956 -0.007034020452984006 0.017222722084299185 -0.007034020452984006 -0.02042743918186626 0.01764386761297572 0.017222722084299185 0.01764386761297572 0.03480333407446511" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.90006000       0.09137000      -5.44130000       0.01530854      -2.53600098       0.04588726
O        1.40929000       2.67694000      -1.70400000      -0.76158768       0.47655264       0.12740410
O        0.34485000       1.78512000      -4.45783000      -0.51796121       0.73372200       1.64822248
O       -1.29990000       0.87352000      -5.95410000       0.18254595       1.34686889      -0.58765628
O       -1.24900000       2.64595000      -7.51301000      -0.90479763       0.29952033      -1.49473872
O       -1.43208000       1.08011000     -10.42191000      -0.97323976      -0.47394521       1.02242555
O       -1.09017000       2.63179000     -13.06507000      -2.02788614      -0.77958230       0.48839120
O       -1.98195000       0.73515000     -15.73652000       0.07512320      -1.17673334       0.40139163
Zn      -0.29104000       1.79357000      -2.43986000       0.94823373      -0.44362916      -0.51680665
Zn      -1.64782000       0.96314000      -8.40652000       0.89475593       0.19624994       0.71860895
Zn       0.01154000       0.07665000     -11.05015000       1.19335512       0.22173475      -1.03469050
Zn      -1.28375000       0.73952000     -13.82340000       1.31437545       0.88565635       0.13648022
Zn       1.11728000       2.45229000     -16.42446000       0.56177449       1.24958608      -0.95491924
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.46071695 magmom=2.0000944 free_energy=-65.46090532 stress="0.01927265923065453 -0.016360350981099527 0.010535624681360973 -0.016360350981099527 0.029272116751137157 0.006132634843400656 0.010535624681360973 0.006132634843400656 0.01505717001285056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.81361000       0.09445000      -5.46557000      -0.77390063      -0.66680204       0.96788726
O        1.30483000       2.58125000      -1.62636000       0.55475904       0.69439444      -0.83370347
O        0.35210000       1.94691000      -4.30443000      -0.27604470      -0.22010613      -0.40343368
O       -1.23931000       0.98001000      -5.99490000       0.08356072       0.48486656      -0.14582555
O       -3.00228000      -0.02691000      -7.58967000      -0.95825747      -0.33509448      -0.14439938
O       -1.54244000       1.08360000     -10.30359000      -0.32419358       0.01127424      -0.35865830
O       -1.25861000       2.58392000     -12.97998000      -0.10921821      -0.47776910      -0.75436535
O       -2.15995000       0.63135000     -15.58003000       0.93948888       0.47150211      -0.89609692
Zn      -0.26864000       1.77956000      -2.41428000      -0.31059825      -0.56000904      -0.46026794
Zn      -1.67180000       0.95119000      -8.37471000       1.52562566       0.62402020       0.15380042
Zn      -0.02415000       0.17995000     -11.11094000       0.48107311      -0.18667157       0.71222993
Zn      -1.20626000       0.56149000     -13.84095000      -0.41842496       0.48957519       0.71240308
Zn       1.16619000       2.51621000     -16.49535000      -0.41386961      -0.32918038       1.45042989
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.9164915 magmom=2.0007686 free_energy=-64.9208995 stress="0.017867228549188426 0.0055601142934865126 -0.01650222898446628 0.0055601142934865126 0.0027305206200147793 -0.006583533814601023 -0.01650222898446628 -0.006583533814601023 0.005659187465532139" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.77042000       0.06551000      -5.46399000      -1.02514026       2.12855437       1.91047982
O        1.29981000       2.64569000      -1.69142000       0.57500515       0.35007153       0.24124878
O        0.28613000       2.07842000      -4.25261000       0.18596906      -0.21277736      -1.06834945
O       -1.17849000       1.13723000      -5.97923000      -0.43852139      -1.91756352      -0.44237553
O       -0.10790000       0.03857000      -7.66965000       1.57066724      -0.21581835      -0.37730084
O       -1.73945000       1.09210000     -10.26098000       0.72361594       0.21564056      -1.01093917
O       -1.45526000       2.37289000     -12.98290000       1.75396702      -0.92363164       0.21122128
O       -2.12243000       0.60564000     -15.59502000       1.13081745       0.61027125      -0.45683549
Zn      -0.25872000       1.73281000      -2.41017000      -0.42887504      -0.27358421      -0.34522428
Zn      -1.62224000       0.96907000      -8.33452000      -0.60887127       0.15199397       0.11090603
Zn      -0.02903000       0.27156000     -11.14003000      -0.50914129      -0.53110449       1.07083696
Zn      -1.15589000       0.42534000     -13.83685000      -2.43940504       1.19225354      -0.50775755
Zn       1.19518000       2.56788000     -16.50228000      -0.49008759      -0.57430566       0.66408946
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.02965396 magmom=2.0045964 free_energy=-65.03395892 stress="0.010816440481666028 0.008504276434389973 0.0030934469993234848 0.008504276434389973 -0.016572985409524708 -0.0022839790335804654 0.0030934469993234848 -0.0022839790335804654 0.0185745108083904" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.79989000       0.12376000      -5.39588000      -1.72496580       0.52939386       0.03334952
O        1.42655000       2.75923000      -1.73962000      -0.22010499      -1.29280862       0.45372194
O        0.23579000       2.16378000      -4.41758000       0.91183176      -1.33181649       1.91855543
O       -1.23138000       1.05648000      -5.92913000      -0.41662478       0.65425833      -1.13537997
O       -0.06041000       0.04168000      -7.72786000       1.25815046       0.24346943      -0.25397878
O       -1.75431000       1.15971000     -10.42015000       0.93121216       0.28655716       0.74455724
O       -1.32598000       2.02140000     -13.01941000       0.01876775       2.10706278      -0.24877922
O       -1.85019000       0.72246000     -15.74547000      -1.01392422       0.23636197       0.16922955
Zn      -0.27087000       1.67746000      -2.42731000       0.47615093       1.44827215      -0.79495020
Zn      -1.60199000       1.00063000      -8.29801000      -0.51338619      -0.16956513      -0.66803395
Zn      -0.06741000       0.33191000     -11.11053000      -0.68033034      -1.03483061      -0.17688318
Zn      -1.22505000       0.33291000     -13.83980000      -0.47355690      -1.15953618       0.52295690
Zn       1.20607000       2.58863000     -16.46350000       1.44678016      -0.51681862      -0.56436528
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.91115734 magmom=2.0273064 free_energy=-64.91591745 stress="-0.00402906538904353 -0.016849734317381446 0.034130593144403476 -0.016849734317381446 -0.017205504045013215 0.009417371314821772 0.034130593144403476 0.009417371314821772 0.022546924727913246" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.91931000       0.21528000      -5.33768000      -0.90474924      -0.91373757       0.13506694
O        1.51315000       2.66099000      -1.73104000      -0.85395497       0.25654938      -0.02246168
O        0.27525000       2.03238000      -4.34058000      -0.32819083      -0.01003026       0.01203765
O       -1.39030000       1.07212000      -5.96393000       0.99609210       0.58408559      -0.43584040
O       -2.94964000       0.04989000      -7.75249000      -2.31799239      -0.62965087       0.14865404
O       -1.60288000       1.29147000     -10.44151000      -1.10390708      -0.26818588       0.70616714
O       -1.14720000       2.03701000     -13.11769000      -1.47006791       0.15452741       0.45588763
O       -1.73464000       0.87400000     -15.87350000      -0.68102458      -1.82772733       1.48582061
Zn      -0.25691000       1.67963000      -2.47586000       0.94522237      -0.01558505       0.54637213
Zn      -1.60327000       1.03786000      -8.31003000       2.26588018       1.01258099      -0.77608727
Zn      -0.13590000       0.34179000     -11.08363000       1.31086593      -0.44637989      -0.44803194
Zn      -1.33928000       0.18537000     -13.81738000       1.04472202       0.85121268      -0.49778164
Zn       1.29010000       2.58949000     -16.44505000       1.09710441       1.25234080      -1.30980322
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.48118309 magmom=2.0003232 free_energy=-65.48287839 stress="0.016542229636808844 -0.01103821229844774 0.011789938852414443 -0.01103821229844774 0.016448462839784312 -0.0062407694820858055 0.011789938852414443 -0.0062407694820858055 0.015440164666519644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13909000       0.27272000      -5.32942000       0.52330323      -1.42533759      -0.95674511
O        1.43327000       2.57849000      -1.74501000      -0.01167136       0.47565867       0.22868395
O        0.26168000       1.87236000      -4.29594000      -0.35309113       1.42865249      -0.28469001
O       -1.43470000       1.16532000      -5.94907000      -0.08300651      -0.50440824      -0.19990471
O       -3.01330000       0.06572000      -7.67279000      -0.50207443       1.34477929      -0.36926546
O       -1.64296000       1.33996000     -10.31574000      -0.33773567      -0.89345042      -0.44658189
O       -1.34380000       2.13813000     -13.07611000      -0.87138881      -0.05421746       0.72518064
O       -1.79628000       0.72499000     -15.72475000       0.34666629      -0.06242838       0.00789699
Zn      -0.19885000       1.68955000      -2.48325000      -0.05486064      -0.30326396       1.24202800
Zn      -1.50819000       1.09945000      -8.36703000       0.32531511      -0.78476057       0.79475358
Zn      -0.14401000       0.32923000     -11.08084000       0.63662419       0.14042326      -0.36422333
Zn      -1.38707000       0.07602000     -13.82656000       0.42608266       0.97215318      -0.21162123
Zn       1.44041000       2.63269000     -16.48652000      -0.04416294      -0.33380026      -0.16551142
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.0310419 magmom=1.9952376 free_energy=-65.03187381 stress="-0.009004142553769563 0.012333558493777768 -0.032159383223475384 0.012333558493777768 0.024528890179646295 -0.00016220070036363375 -0.032159383223475384 -0.00016220070036363375 0.0070710776595548745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02654000       0.25465000      -5.41300000       1.63382489      -0.84385858       0.16237840
O        1.36639000       2.61115000      -1.71518000       0.82700434       0.30299251       0.40517645
O        0.17453000       1.93762000      -4.34024000      -0.56679414       0.68170881       0.54043774
O       -1.47910000       1.15521000      -5.88542000      -1.45045341       0.12195704      -1.12348584
O        0.01871000       0.25147000      -7.57557000       1.37120290      -0.70853630      -0.12149000
O       -1.76082000       1.21952000     -10.28589000       0.28198962      -0.20812619      -0.23718812
O       -1.69589000       2.14784000     -12.86482000       1.69842291      -0.39524844      -0.24087273
O       -1.77954000       0.54675000     -15.60177000       0.88970908       0.81276648      -1.29689518
Zn      -0.15027000       1.68171000      -2.43553000      -0.65035446      -0.14612641      -0.50494214
Zn      -1.40014000       1.13686000      -8.38952000      -1.28703990       0.56443483       0.74362459
Zn      -0.11687000       0.32000000     -11.09332000      -0.07505099      -0.20013245       0.34714607
Zn      -1.40450000       0.04440000     -13.84919000      -1.65052414       0.70485545       0.98685328
Zn       1.56801000       2.66394000     -16.53439000      -1.02193669      -0.68668674       0.33925748
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.24565052 magmom=1.9997114 free_energy=-65.24580425 stress="0.0037962825390392813 -0.004931499272567591 -0.013111860157783675 -0.004931499272567591 0.026315654349610643 -0.007403919197171199 -0.013111860157783675 -0.007403919197171199 0.014967387545591628" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00679000       0.20189000      -5.50819000      -0.66635038       0.21745845       1.94407872
O        1.46419000       2.68701000      -1.66654000       0.06446386      -0.53962282      -0.88766987
O       -0.00885000       2.12298000      -4.33409000      -0.20613444      -0.29526266      -0.25097271
O       -1.67399000       1.12685000      -5.95319000       1.43304040       0.34770907      -0.43385217
O        0.10861000       0.29326000      -7.48422000      -0.07316120      -0.71003091      -1.80786925
O       -1.78091000       1.07139000     -10.28189000       0.86490430       0.40821934       0.35743117
O       -1.67181000       2.09142000     -12.79323000       0.66012881       0.03570787      -1.82234788
O       -1.57939000       0.56213000     -15.72551000      -0.22869612       0.53993429       0.56797114
Zn      -0.13898000       1.67108000      -2.40921000       0.02921254       0.60634743      -0.84116630
Zn      -1.36986000       1.18865000      -8.37264000      -0.79655928       0.16371651       0.89355510
Zn      -0.09965000       0.30069000     -11.08860000      -0.57169518      -0.57855545       0.49881381
Zn      -1.50013000       0.05501000     -13.81548000      -0.70826186       0.46760656       0.79092786
Zn      -1.58788000       2.64503000     -16.55062000       0.19910853      -0.66322768       0.99110039
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.14807454 magmom=1.9996188 free_energy=-65.14816404 stress="0.005733752896364821 -0.0049861107734870775 0.003791175536544192 -0.0049861107734870775 -0.012397944247920461 -0.009682983448013124 0.003791175536544192 -0.009682983448013124 0.030268947443375407" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06250000       0.15737000      -5.53077000      -0.19995361       1.51601657       0.90370803
O       -1.62161000       2.65831000      -1.79401000      -0.88651723       0.07486136       0.62292352
O       -0.25267000       2.27314000      -4.41348000       1.17685779      -0.93875187       0.52209233
O       -1.67318000       1.16472000      -6.04957000       0.14585261      -0.69294131      -0.27936836
O       -2.98312000       0.17148000      -7.63835000      -1.00297080       1.58831971      -0.36205723
O       -1.63173000       0.99082000     -10.21415000      -0.60814037       0.42087139      -1.42574477
O       -1.49103000       2.03569000     -13.05828000      -1.71034118      -0.08986226       1.06759591
O       -1.40851000       0.72801000     -15.78510000      -0.87860295      -0.24790377       0.69119365
Zn      -0.12516000       1.69061000      -2.42224000       0.82537861       0.16919774      -1.00209726
Zn      -1.39001000       1.25632000      -8.31591000      -0.04204015      -1.71105666       0.36300653
Zn      -0.10431000       0.24116000     -11.06151000       0.78619379      -1.04979550       0.21919966
Zn      -1.64795000       0.09907000     -13.73381000       1.74457492       1.19293190      -1.22536773
Zn      -1.51007000       2.58863000     -16.51176000       0.64970858      -0.23188728      -0.09508427
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31316368 magmom=2.0124884 free_energy=-65.31614655 stress="-0.0027667604011014663 0.007723765132598795 -0.011234155408542086 0.007723765132598795 -0.020352076903804986 0.0029902147727057884 -0.011234155408542086 0.0029902147727057884 0.02699417418686628" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12700000       0.17378000      -5.51343000       0.54967012       1.13048806       0.90417091
O       -1.66101000       2.63878000      -1.84849000      -0.11266080       0.34286789       0.75329394
O       -0.29210000       2.26112000      -4.45123000       1.43566904      -0.92176585       0.41152782
O       -1.61798000       1.16605000      -6.11474000      -1.28254225      -0.14595642      -0.35676634
O        0.14102000       0.34135000      -7.84796000       0.20934658      -0.62977297       0.21752303
O       -1.59299000       1.01945000     -10.36902000      -0.62960304       0.20765409       0.18151400
O       -1.62853000       1.98814000     -13.14702000      -0.60476136       1.75263301       1.20089477
O       -1.41493000       0.81125000     -15.70314000      -0.04836119      -1.73796591      -0.29150597
Zn      -0.06777000       1.72402000      -2.48376000       0.11750312      -0.08790934      -0.21811527
Zn      -1.41992000       1.24507000      -8.24996000      -0.84553110       0.14251024      -1.38143372
Zn      -0.06814000       0.11387000     -11.02726000       0.75663436      -0.63948626      -0.26904019
Zn      -1.72506000       0.20845000     -13.70302000       0.75513161      -0.61483296      -0.84714521
Zn      -1.39135000       2.52325000     -16.46496000      -0.30049509       1.20153642      -0.30491777
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.55954831 magmom=2.0565213 free_energy=-65.56650671 stress="-0.022051024937786937 -0.001160072738467462 -0.019289174706948763 -0.001160072738467462 0.00023151430072346742 0.0072292188074849235 -0.019289174706948763 0.0072292188074849235 0.017090166180510027" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15558000       0.24243000      -5.47572000       0.51095586       0.09124924       0.97707847
O        1.48647000       2.70731000      -1.75064000       0.89012747       0.10460390       0.25139488
O       -0.08469000       2.09754000      -4.46863000      -0.44728019      -0.06308738      -0.02525804
O       -1.75005000       1.16554000      -6.10781000       0.47639605       0.15518735      -0.32590228
O        0.09415000       0.43019000      -7.91971000      -0.25470780      -1.63282566      -0.07509098
O       -1.67966000       1.01651000     -10.48976000       0.47343087      -1.77078011       1.37525215
O        1.27068000       2.20852000     -12.97879000       1.62159127      -0.22564300      -0.10956240
O       -1.42504000       0.58970000     -15.68028000       0.90598089       0.58931563       0.00771689
Zn      -0.00074000       1.75048000      -2.55145000      -0.60012256      -0.06360765       0.79343944
Zn      -1.50266000       1.22712000      -8.26678000      -0.44807733       1.05022214      -1.21698245
Zn       0.00618000      -0.03358000     -11.01000000      -0.41375264       1.58273654      -0.69876146
Zn      -1.75091000       0.31769000     -13.71926000      -1.23978381       0.80799275      -0.04952379
Zn      -1.29043000       2.50467000     -16.43108000      -1.47475809      -0.62536375      -0.90380043
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.71112129 magmom=2.0063979 free_energy=-65.71543712 stress="0.002368643700533519 -0.0006910944558953335 -0.00525856293908043 -0.0006910944558953335 0.002851678317287302 -0.013578666101829066 -0.00525856293908043 -0.013578666101829066 0.010128705062427535" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15177000       0.30111000      -5.44283000       0.54954027      -1.28639609      -0.32830252
O        1.59016000       2.77167000      -1.67527000       0.31011640      -0.34955644      -0.72371577
O        0.01595000       1.97962000      -4.48406000      -1.03186372       1.25824763       1.32828099
O       -1.75750000       1.18309000      -6.03367000       0.81549818      -0.13434957      -1.12263730
O        0.03415000       0.21106000      -7.87252000      -0.39080709       1.71724461       0.43161994
O       -1.64491000       0.76120000     -10.33784000       0.65013529       0.63148446       0.30972870
O        1.29584000       2.39647000     -12.89470000       0.85195150      -0.49236892      -1.43473098
O       -1.28728000       0.48880000     -15.68312000      -0.31575854       0.78842902       0.36486957
Zn       0.02805000       1.77050000      -2.55837000      -0.11034370       0.27562592       1.26020042
Zn      -1.60129000       1.25303000      -8.35765000       0.02263134      -1.98180755      -0.46215609
Zn      -1.56965000       2.68007000     -11.04272000      -0.62108599      -0.35926363       0.54726335
Zn      -1.82304000       0.43422000     -13.73216000      -0.41629975       0.55340090       0.33728458
Zn      -1.27194000       2.46675000     -16.43738000      -0.31371417      -0.62069033      -0.50770490
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.77789733 magmom=2.0003542 free_energy=-65.77807497 stress="0.004474007364070008 0.011332411423488425 0.00898648746529007 0.011332411423488425 0.026335569064122 -0.0028295819269515588 0.00898648746529007 -0.0028295819269515588 0.02328220956149905" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11443000       0.29615000      -5.46746000       1.40146638      -0.98488855       0.40870585
O       -1.47054000       2.75276000      -1.75052000      -0.52645046      -0.04829682       0.59231026
O       -0.07498000       2.06656000      -4.37028000       0.12536430       0.25981663      -0.98293713
O       -1.62159000       1.16836000      -6.03156000      -1.61838854       0.64940544      -0.29484536
O       -0.12004000       0.25403000      -7.66670000       0.53098978      -0.06558899      -0.60164496
O       -1.50467000       0.61854000     -10.20504000      -0.63203720       0.31687112      -2.02983344
O       -1.72126000       2.43462000     -13.05344000      -1.19633160      -0.49897234       1.16601100
O       -1.21323000       0.57304000     -15.64060000      -0.70802614       0.13226902      -0.30652112
Zn       0.04810000       1.79904000      -2.48988000       0.63324533      -0.07445986       0.62905056
Zn      -1.68158000       1.20650000      -8.45387000      -0.32277252       0.20472324       2.60666068
Zn      -1.56415000       2.61089000     -11.03194000       0.42483878      -0.54371060      -0.26925419
Zn      -1.90282000       0.56865000     -13.73165000       1.73557567       0.56502827      -0.82069028
Zn      -1.27945000       2.40118000     -16.46713000       0.15252622       0.08780344      -0.09701186
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.66184731 magmom=2.0001941 free_energy=-65.66184761 stress="0.008758539013628329 -0.0010294087983735982 0.01084877651086993 -0.0010294087983735982 -0.002181281217457146 -0.001717678640589486 0.01084877651086993 -0.001717678640589486 0.03842854649773704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02547000       0.24831000      -5.50806000      -1.38823655       0.99327729       1.06964349
O       -1.44262000       2.73583000      -1.72545000      -0.64835666       0.28117434       0.28352210
O       -0.13637000       2.20504000      -4.42831000       0.62909583      -0.50391783       0.63726308
O       -1.70675000       1.22197000      -5.99150000       0.66005744      -0.51814187      -0.61005476
O       -0.15965000       0.33498000      -7.54829000       0.40041344      -0.72803442      -1.89951754
O       -1.51254000       0.59905000     -10.39989000      -0.52353614       0.75483183       0.98167285
O       -1.72707000       2.41784000     -13.02324000      -0.20686018       1.19730780       0.18852408
O       -1.30133000       0.66575000     -15.66901000      -0.20247086      -1.18795079      -0.38221929
Zn       0.10262000       1.82257000      -2.39225000       0.52456586      -0.12162586      -1.05906521
Zn      -1.77228000       1.15040000      -8.43327000       0.11615917       0.11067867       1.22447213
Zn      -1.53679000       2.51147000     -11.03705000       0.21591061      -0.39213929      -0.70519715
Zn      -1.90069000       0.71650000     -13.76437000       0.57464371      -1.13571808      -0.08365214
Zn      -1.27985000       2.34687000     -16.49873000      -0.15138566       1.25025821       0.35460835
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50453757 magmom=2.0051165 free_energy=-65.50629505 stress="-0.00017507504251306573 -0.032776197504229616 5.45815167096464e-05 -0.032776197504229616 -0.018287833819076536 0.01183616692055528 5.45815167096464e-05 0.01183616692055528 0.025737065236546987" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00342000       0.23953000      -5.51309000      -1.77437789       0.93142371       1.45928548
O       -3.14974000      -0.00294000      -1.62830000       0.84473111       0.22868977      -0.76025781
O       -0.07526000       2.25865000      -4.41527000       0.34551622      -0.71098130       0.67589942
O       -1.72115000       1.22677000      -6.00332000       1.32732482      -0.60093862      -1.17904546
O       -0.14003000       0.23630000      -7.73347000      -1.15874928      -0.78937831       0.29318065
O       -1.64785000       0.70297000     -10.42346000       0.28468887      -1.39046103       1.42586476
O        1.37812000       2.62772000     -12.96482000       0.11981461       0.36959469      -1.68234687
O       -1.45617000       0.53519000     -15.78901000       0.81998750       0.43503601       0.68085053
Zn       0.19376000       1.84176000      -2.33291000      -1.04966199      -0.04401467      -1.27785239
Zn      -1.86488000       1.09842000      -8.33924000       1.54957901       0.56212047      -0.81158977
Zn      -1.49105000       2.38215000     -11.08315000      -0.42314587       1.74145409      -0.09773916
Zn      -1.84838000       0.83938000     -13.81003000       0.18170465      -0.53109360       0.61604673
Zn      -1.29172000       2.34771000     -16.50884000      -1.06741175      -0.20145122       0.65770390
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.17629708 magmom=1.9992615 free_energy=-65.17833449 stress="-0.00592771738565117 0.004307568341968407 -0.014900799874410451 0.004307568341968407 -0.0014246104770024117 0.0049348298292182895 -0.014900799874410451 0.0049348298292182895 0.025111821928789937" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05717000       0.27361000      -5.45027000       1.45409341      -0.65166536       1.59605325
O       -3.09863000       0.09267000      -1.68533000       0.74772126      -0.70266379       0.46220703
O        0.06642000       2.16932000      -4.31506000      -0.25449803      -0.36038377      -0.90799189
O       -1.53586000       1.14828000      -6.13048000      -1.70244195       0.61314434       0.37700832
O       -0.29692000       0.01845000      -7.86299000       0.48988524       1.80936669       0.36695332
O       -1.74133000       0.60750000     -10.18270000       0.40116133       0.08748006      -1.92158734
O       -0.27401000       0.14953000     -13.17166000       1.86303240      -1.48295762       1.47437216
O       -1.44605000       0.45364000     -15.79465000       0.44005455       0.87312670       0.36377583
Zn       0.24745000       1.86486000      -2.33445000      -0.79513048       0.59022892      -0.95330358
Zn      -1.90400000       1.04770000      -8.27329000       0.11726775      -1.74635309      -0.59350080
Zn      -1.46506000       2.30819000     -11.14295000      -0.74132823       0.51900600       0.51143370
Zn      -1.78436000       0.95357000     -13.83676000      -1.27834171       0.73696707      -0.59687797
Zn      -1.36946000       2.34630000     -16.48663000      -0.74147555      -0.28529616      -0.17854204
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.46020969 magmom=2.0043184 free_energy=-65.46481564 stress="-0.017411333824151633 0.009572803466787424 0.010032777373804007 0.009572803466787424 0.008868605480527557 -7.015932484639087e-05 0.010032777373804007 -7.015932484639087e-05 0.012886712439787463" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07216000       0.27584000      -5.34729000       1.54862135      -1.01162232      -0.35968166
O       -2.88453000       0.05956000      -1.69351000      -0.69669813      -0.09410295       0.39242920
O        0.17129000       2.00200000      -4.38930000      -1.08513541       0.57427439       1.30765978
O       -1.58021000       1.15028000      -6.02393000      -0.90264511       0.18692373      -0.21925995
O       -0.34931000       0.06916000      -7.80820000       0.92127697      -0.64538544       0.01421279
O       -1.73262000       0.49844000     -10.28901000       0.80302182       0.66698191      -0.64003384
O       -0.02717000       0.18124000     -13.16278000      -0.76865892      -0.83683151       0.85744302
O       -1.33303000       0.57199000     -15.73188000      -0.88514177      -0.15491955      -0.35641017
Zn       0.25870000       1.91512000      -2.38505000       0.48516339      -0.05533002      -0.44212616
Zn      -1.93362000       0.93207000      -8.25738000      -0.23103170       0.50046464      -0.84685762
Zn      -1.48148000       2.27035000     -11.17927000      -0.97324490       0.13556202       0.37823872
Zn      -1.76098000       1.09967000     -13.87789000       0.95109956       0.04423562       0.39351754
Zn      -1.49070000       2.32776000     -16.46722000       0.83337283       0.68974948      -0.47913164
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.0435509 magmom=2.0671029 free_energy=-65.05042659 stress="-0.00149496418116751 0.00030782813430003584 0.01881556858877865 0.00030782813430003584 -0.00914937387032929 0.0010240386039216884 0.01881556858877865 0.0010240386039216884 -0.009035152062555925" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03433000       0.22597000      -5.30369000      -0.60514268      -0.79508308       0.40389715
O       -2.82558000       0.00035000      -1.63427000      -1.07958558       0.53264159      -0.12387917
O        0.06754000       1.95223000      -4.30090000      -0.85019094       0.95555848      -0.05826709
O       -1.70026000       1.14282000      -5.80860000       1.18168520      -0.58713910      -1.51161291
O       -0.25754000       0.03316000      -7.65524000      -0.86879711      -0.68864815      -0.38373088
O       -1.56481000       0.49586000     -10.55593000      -0.08376727      -0.54244348       1.50043859
O       -3.07437000       0.05181000     -13.00532000      -0.19179919       1.24727019      -0.98016582
O       -1.39862000       0.64399000     -15.74279000      -0.65172158      -0.81579279       0.40440248
Zn       0.29543000       1.96307000      -2.44882000       0.82830198      -0.58163938       1.25119892
Zn      -1.95691000       0.83460000      -8.29594000       1.46600359       0.77983783      -0.54516690
Zn      -1.54616000       2.24830000     -11.18843000      -0.08009331       0.99016477       0.35032138
Zn      -1.70756000       1.23910000     -13.89576000       0.22288131      -1.70398143       0.43182781
Zn      -1.57136000       2.34970000     -16.47002000       0.71222558       1.20925453      -0.73926356
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.12963418 magmom=2.0134669 free_energy=-65.13279775 stress="0.0033634146697941883 -0.0009956824917364319 -0.00688368633446483 -0.0009956824917364319 0.012719054238742268 0.003439346136038687 -0.00688368633446483 0.003439346136038687 0.008948339629897564" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02643000       0.13125000      -5.28876000      -0.87831737      -0.36959577      -0.00929264
O       -2.98813000       0.06262000      -1.63962000       0.78195651       0.47467246      -0.41508976
O       -0.22041000       2.06591000      -4.25572000       1.21384938      -0.76713625       0.32376421
O       -1.63013000       1.01206000      -5.78001000      -0.68007566       0.55510155      -1.14337735
O        1.31834000       2.65355000      -7.54678000       0.42426359       0.33073850      -1.28716634
O       -1.44072000       0.45087000     -10.48674000      -1.56376285       0.70125789       1.50188362
O       -2.98269000       0.16221000     -13.03542000      -0.68491789       0.30205502      -0.13548779
O       -1.61144000       0.56377000     -15.71732000       0.21065344       0.41013856      -0.29660857
Zn       0.37348000       1.97747000      -2.43973000      -1.02564334      -0.48364966       0.54692749
Zn      -1.91128000       0.77774000      -8.37061000       0.39725830      -0.18064232       0.41491953
Zn      -1.61045000       2.26795000     -11.18083000       1.29866454      -0.01500178      -0.23144085
Zn      -1.63559000       1.28875000     -13.88417000       0.49777591      -1.01333678       0.22383453
Zn      -1.61039000       2.43194000     -16.49929000       0.00829543       0.05539857       0.50713392
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.9511245 magmom=1.9802326 free_energy=-64.95299547 stress="0.02130192625264901 -0.011782576755223118 -0.010948320748333816 -0.011782576755223118 0.024289801763908003 0.0026807952907559993 -0.010948320748333816 0.0026807952907559993 0.006357924786665318" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07497000       0.00835000      -5.32163000      -0.80591835       0.39770729      -0.21982075
O       -3.00995000       0.23118000      -1.71510000       0.50883688      -0.99126223       1.10084613
O       -0.30654000       2.03114000      -4.21670000       1.26280460      -0.83934208       0.04315786
O       -1.67879000       0.93854000      -5.88951000      -0.50262136      -0.14023134      -0.34834508
O        1.36537000       2.55052000      -7.61696000       0.38078110       0.58892415      -0.78639548
O       -1.59511000       0.49924000     -10.18216000       0.14543099      -0.13067004      -4.05700762
O        0.15364000       0.36755000     -13.10073000      -0.79982953      -0.79058062       0.85308712
O       -1.76657000       0.57195000     -15.72970000       1.50693868       1.13306062       0.13663384
Zn       0.40529000       1.96574000      -2.38723000      -1.02356818       0.75136553      -0.76114601
Zn      -1.83559000       0.71333000      -8.41901000      -0.25744653       0.06314466       3.54623367
Zn      -1.62150000       2.30364000     -11.17025000       0.11907554       0.55989305       0.82424740
Zn      -1.52522000       1.28024000     -13.86088000       0.46713502      -0.16269593      -0.07150730
Zn      -1.65659000       2.52684000     -16.51305000      -1.00161886      -0.43931307      -0.25998378
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.69137876 magmom=2.0242188 free_energy=-65.69586718 stress="0.005131598522449243 -0.0030038912424005335 -0.009935447417808184 -0.0030038912424005335 0.011477421952904333 0.013545777474373192 -0.009935447417808184 0.013545777474373192 0.02478457289569757" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43167000       2.68066000      -5.42987000      -0.49986622       0.37523929       1.54663606
O       -2.89427000       0.21126000      -1.61610000      -0.00531071      -0.77179776      -0.50478517
O       -0.15887000       1.81849000      -4.22947000      -0.04473006      -0.12434381      -1.27939543
O       -1.83881000       0.84589000      -5.98324000       0.86041857      -0.43427723      -0.42419989
O        1.48739000       2.57881000      -7.78380000      -0.62032888      -0.39246084      -0.06921103
O       -1.76762000       0.56575000     -10.45406000       1.11621456       0.26945171       1.02254675
O       -0.04441000       0.37601000     -12.99619000       1.69102769      -1.34214950       0.08740535
O       -1.65379000       0.80739000     -15.75493000      -0.23556659       0.09182194       0.09003367
Zn       0.37833000       1.98912000      -2.36157000      -0.32082580       0.57999075      -0.19535194
Zn      -1.75999000       0.64685000      -8.33762000       0.45597409       0.56005766      -0.54524236
Zn      -1.62404000       2.36901000     -11.12908000      -1.11206036       0.22778902      -0.40300856
Zn      -1.39861000       1.26638000     -13.83765000      -1.72077836       0.62170782      -0.05477046
Zn       1.46997000       2.61516000     -16.52106000       0.43583206       0.33897094       0.72934302
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50199982 magmom=2.0661732 free_energy=-65.50840558 stress="-0.011789848993407558 0.015082583815218783 0.006642673936089431 0.015082583815218783 -0.018654265598431082 0.002862581428575543 0.006642673936089431 0.002862581428575543 0.012682965882908483" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34239000       2.60003000      -5.46638000       1.14558454      -0.23275309       0.47486886
O       -2.81969000       0.04575000      -1.62498000      -0.85567058       0.72655457      -0.38616545
O       -0.06054000       1.63832000      -4.44354000      -0.87905688       0.33386630       1.57977323
O       -1.83606000       0.71323000      -6.02684000       0.34335314       0.09625546      -0.84197064
O        1.49504000       2.54002000      -7.84823000       0.19925563      -0.52677671      -0.06640465
O       -1.70628000       0.64454000     -10.56633000       0.40327991      -0.49071117       1.61598976
O        0.04827000       0.17821000     -12.96243000       0.25452315       0.73565606      -1.25355479
O       -1.58124000       0.99335000     -15.75891000      -0.46050623      -0.93254277       0.29141153
Zn       0.34411000       2.03341000      -2.35576000       0.30988443      -1.00110713      -1.10369196
Zn      -1.68710000       0.62166000      -8.28863000      -0.48503070       0.60451519      -0.94975701
Zn      -1.67201000       2.43535000     -11.10380000      -0.37008552       0.66463375       0.01890774
Zn      -1.36401000       1.27207000     -13.81077000      -0.35145946      -1.02132612       0.50602197
Zn      -0.18614000      -0.09042000     -16.47855000       0.74592857       1.04373566       0.11457141
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.82662862 magmom=2.000033 free_energy=-65.82857669 stress="-0.0019606230232166923 0.02458683001523923 -0.0023970434221430377 0.02458683001523923 -0.012767992232832363 -0.010994795306153054 -0.0023970434221430377 -0.010994795306153054 0.03457444577011769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32109000       2.51503000      -5.49493000       2.26911768      -0.70838158       0.87778196
O       -2.91885000       0.05054000      -1.74247000      -0.03834371       0.70481377       0.72141290
O       -0.10795000       1.55266000      -4.41492000      -0.29113951       0.29548241       0.29882803
O       -1.74937000       0.60930000      -6.08976000      -1.42100059       0.59154509      -0.32015904
O       -1.69745000       2.41423000      -7.81885000       0.17643210       1.00440997       0.15843652
O       -1.57210000       0.66244000     -10.32135000      -1.08658436       0.45038088      -0.48326807
O       -3.00235000       0.17311000     -13.13760000      -0.15307473       0.95249286       1.15672883
O       -1.64190000       0.98709000     -15.73491000      -0.75117516       0.13517972      -0.22511473
Zn       0.32474000       2.02106000      -2.40165000      -0.53864162      -0.96070003      -0.86366132
Zn      -1.64327000       0.62615000      -8.31278000      -0.41564237      -0.83345346      -0.37460666
Zn       1.48520000       2.52615000     -11.08407000       1.21112952      -0.14869673      -0.17483953
Zn      -1.36113000       1.21485000     -13.76522000      -0.19180877      -1.36555321      -0.36502345
Zn      -0.18733000       0.02967000     -16.44262000       1.23073153      -0.11751969      -0.40651544
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.63297946 magmom=2.0000323 free_energy=-65.63308076 stress="0.00043958661664176 -0.01514248082579436 -0.00866861380305569 -0.01514248082579436 0.01623656572707368 -0.001707206730200716 -0.00866861380305569 -0.001707206730200716 0.0307009136142801" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.80825000       2.38212000      -5.52166000       0.18151878       0.75324990       0.90180559
O       -3.07638000       0.20525000      -1.73279000       0.14219578      -0.90610801       0.52997878
O       -0.21453000       1.52420000      -4.35723000       0.07416198       0.04043874      -0.99561689
O       -1.81355000       0.56429000      -6.06767000       0.51059338      -0.26860146       0.22925199
O       -1.63479000       2.45845000      -7.66228000      -0.57528063      -0.23015051      -0.66178932
O       -1.63564000       0.75493000     -10.21694000      -0.39916483       0.22344177      -2.23123844
O       -2.91058000       0.35422000     -13.08195000      -1.54085573      -1.55538249       1.50824305
O       -1.83483000       0.99567000     -15.74676000       1.62438206       0.98760493       0.72024945
Zn       0.28000000       1.95478000      -2.49970000      -0.48014721       0.70910995       0.19050295
Zn      -1.62074000       0.59594000      -8.35501000      -0.08793136      -0.04389279       1.76309084
Zn       1.48020000       2.62222000     -11.06949000       0.72798331       0.08794336       0.11739300
Zn      -1.35724000       1.07996000     -13.73666000       0.79773180       1.05138422      -1.13329543
Zn      -0.12757000       0.16498000     -16.42298000      -0.97518732      -0.84903761      -0.93857558
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13547011 magmom=2.0169035 free_energy=-65.13734486 stress="-0.0056981401372849195 -0.012167199656343906 -0.016105370097783418 -0.012167199656343906 -0.007799552632193795 0.004690558033637736 -0.016105370097783418 0.004690558033637736 0.004118226688831234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.70552000       2.29018000      -5.52342000      -1.65458501       1.83140033       0.49446782
O        0.01432000       0.21351000      -1.63975000       0.10944825      -0.65037599      -1.07020088
O       -0.28931000       1.50628000      -4.47275000       1.16429082      -0.54245488       1.33247492
O       -1.78168000       0.49761000      -5.92822000       0.99488069      -0.50563539      -1.19819430
O       -1.67496000       2.47930000      -7.56630000       0.11159205      -0.80316615      -1.15539502
O       -1.77777000       0.89531000     -10.45872000       1.01321443      -0.24501987       2.34020102
O        0.15942000       0.27065000     -12.80311000       0.59748473      -0.29732852      -3.20652650
O       -1.75767000       1.19163000     -15.64410000       0.41044633      -0.02873976      -0.40334863
Zn       0.20296000       1.91343000      -2.59309000      -0.32645987       0.54935292       0.82082428
Zn      -1.60744000       0.55879000      -8.33298000      -0.55251013       0.54575286      -0.25772832
Zn      -0.09087000      -0.06420000     -11.02792000      -0.88949565      -0.25922083       1.10301020
Zn      -1.33176000       0.98276000     -13.75125000      -0.78135947       0.51745143       0.86012796
Zn      -0.09887000       0.26687000     -16.44283000      -0.19694717      -0.11201615       0.34028745
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.77601882 magmom=2.0030826 free_energy=-65.77649261 stress="0.01307696638310602 0.009045794203864593 -0.01772662139197781 0.009045794203864593 0.002087875541667622 -0.0014467902726246048 -0.01772662139197781 -0.0014467902726246048 0.02589595559026647" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.67619000       2.28871000      -5.51294000       0.63410706      -0.15846266       0.68045392
O       -0.06960000       0.06408000      -1.74488000       0.72297529       0.33967966       0.09290382
O       -0.16021000       1.40546000      -4.41981000       0.43784131      -0.20985744      -0.71347237
O       -1.61630000       0.40358000      -5.96141000      -1.36530740       0.72794484      -0.99871973
O       -1.69738000       2.33980000      -7.64009000       0.49395222       0.49458454      -0.16099729
O       -1.73298000       0.97305000     -10.26250000       0.29565688      -0.37356664      -0.12282815
O       -3.08621000       0.04482000     -13.02072000       0.88352639      -0.39766623       0.99761619
O       -1.54972000       1.39389000     -15.62486000      -0.41221384      -0.87761681      -0.84842271
Zn       0.10888000       1.90639000      -2.63052000      -0.57026811      -0.00424590       1.69693915
Zn      -1.62293000       0.54871000      -8.32474000      -0.34334124      -0.49065500       0.36066973
Zn      -0.09519000       0.02842000     -10.97416000      -0.04509760       0.08660348      -0.64261616
Zn      -1.35079000       0.92459000     -13.73279000      -1.15584175       0.61011804      -0.05121072
Zn      -0.08987000       0.35399000     -16.45544000       0.42401079       0.25314013      -0.29031568
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.46040809 magmom=1.9999361 free_energy=-65.46047945 stress="0.009828529654949764 0.0065734656362300605 0.014865818880884273 0.0065734656362300605 -0.009487292332608229 -0.016112154618203253 0.014865818880884273 -0.016112154618203253 0.029048366319788955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.63354000       2.29246000      -5.50249000       0.05279029      -0.39300218      -0.45827774
O        1.59585000       2.76787000      -1.87357000      -0.02608461       0.60175248       0.69686578
O        0.07225000       1.27468000      -4.47745000      -0.48207656       0.95027162       0.20167847
O       -1.64017000       0.42088000      -6.10746000       0.48605626       0.00575255       0.46791518
O       -1.62328000       2.31252000      -7.69182000      -0.30511658       0.66209994      -0.14533864
O       -1.61139000       0.98988000     -10.12967000      -0.59180052       0.18094213      -2.15050400
O       -1.36527000       2.62648000     -13.13387000      -0.51025821       1.83364887       1.73907300
O       -1.45191000       1.41771000     -15.76780000      -1.26560534      -0.31122242       0.49039510
Zn      -0.01500000       1.89975000      -2.58215000       0.01771742      -0.44162468       0.35756482
Zn      -1.65791000       0.50881000      -8.29068000       0.21736849      -0.72114463       1.12796807
Zn      -0.10522000       0.11779000     -10.93937000       0.88214098      -0.51742186      -0.35354643
Zn      -1.42042000       0.88117000     -13.71635000       0.17667870      -1.17346311      -1.04157252
Zn      -0.05298000       0.44756000     -16.48267000       1.34818968      -0.67658873      -0.93222109
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.42061875 magmom=2.0111107 free_energy=-65.42236601 stress="-0.026837179117324944 -0.00023986688796401643 0.021161578498799176 -0.00023986688796401643 0.007324696402160857 -0.008836332958679008 0.021161578498799176 -0.008836332958679008 0.03427528243582769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58218000       2.27907000      -5.55706000       0.23697500       0.55147535       0.47200069
O        0.03356000       0.04854000      -1.80648000      -1.10207100       0.26594560       0.41126695
O        0.19824000       1.32603000      -4.53682000      -1.08612706       0.67208396       1.24833188
O       -1.58064000       0.44582000      -6.07519000       0.48952950      -0.39339954      -0.21121173
O       -1.63280000       2.40028000      -7.68070000      -0.48830951      -1.17180528      -0.19128326
O       -1.63400000       1.04540000     -10.39358000      -0.39045879       0.07584503       1.53488908
O       -2.95972000      -0.06361000     -12.87131000      -0.87316149      -0.31481392      -1.58474344
O       -1.60103000       1.33884000     -15.83892000       0.53391691       0.03387556       0.56479908
Zn      -0.13448000       1.86693000      -2.50535000       1.15880262      -0.24561532      -0.84285141
Zn      -1.67400000       0.43586000      -8.21489000       0.75580181       1.19628578      -1.44669584
Zn      -0.06363000       0.17914000     -10.93169000       0.49651065      -0.56852397      -0.38998066
Zn      -1.48363000       0.79668000     -13.74609000       0.65196283       0.73165365       0.34904459
Zn       0.05099000       0.51156000     -16.55518000      -0.38337147      -0.83300691       0.08643408
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.11778039 magmom=2.0480477 free_energy=-65.12248467 stress="6.000823426820036e-05 -0.0017117358438488582 -0.011202941839856363 -0.0017117358438488582 -0.0168414748846646 0.002275556997067873 -0.011202941839856363 0.002275556997067873 0.020460109337778202" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.51186000       2.28795000      -5.60937000       0.61307575       0.29265836       2.80791817
O       -0.15396000       0.13290000      -1.68296000      -0.13643573      -1.55759855      -0.88654855
O        0.12522000       1.54044000      -4.39159000      -0.12052171      -0.48431086      -0.54348864
O       -1.44609000       0.43901000      -5.98067000      -1.35509253       0.53023383      -1.00890183
O       -1.69833000       2.25877000      -7.64701000       1.00131028       0.26988649      -0.37012093
O       -1.71120000       1.12666000     -10.36006000       1.11949138      -0.26915022       1.47376475
O        0.06355000       0.02525000     -12.92146000       0.11617453      -0.48595677      -0.69759520
O       -1.63838000       1.28348000     -15.75058000       1.26433102       0.34103884       0.26078957
Zn      -0.20719000       1.83014000      -2.46439000       0.10590333       1.42292743      -0.61444102
Zn      -1.65935000       0.41652000      -8.21359000      -0.25284492       0.15574027      -1.33046888
Zn       0.00316000       0.21006000     -10.94846000      -1.02376541      -0.34463789      -0.67093005
Zn      -1.51925000       0.73784000     -13.76789000      -0.26907861       0.85631950      -0.09916991
Zn       0.14399000       0.52549000     -16.63123000      -1.06254740      -0.72715042       1.67919252
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.81181441 magmom=2.0004705 free_energy=-64.81189005 stress="0.022585680729713467 0.0003141824524618604 -0.005328871298681729 0.0003141824524618604 0.00016471624699418408 0.017201976069428863 -0.005328871298681729 0.017201976069428863 0.02000439755761539" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.41294000       2.32236000      -5.51935000      -1.96531023       0.98345928       0.74050292
O        1.20373000       2.73178000      -1.71788000       1.45414641       0.75638991       0.45936727
O       -0.00833000       1.70085000      -4.34733000       0.66709737      -1.05865028      -0.13654797
O       -1.49583000       0.51463000      -6.00540000       0.81549241      -0.45958315      -0.34835889
O       -1.56478000       2.18747000      -7.58923000      -0.06334709       1.53620095      -0.15462732
O       -1.58344000       1.14725000     -10.02464000       0.02346727      -0.19562009      -2.96076834
O       -0.06808000      -0.03248000     -13.12571000       1.43851438      -0.71253938       2.19492771
O       -1.39205000       1.30150000     -15.64756000      -0.38889114      -0.04030240      -1.85236433
Zn      -0.28610000       1.85410000      -2.44874000      -1.09667396      -0.46739998      -0.31372311
Zn      -1.65042000       0.40097000      -8.29550000       0.38661814      -0.84476518       1.22063310
Zn       0.03179000       0.22689000     -10.99949000      -0.08248775      -0.11034818       0.09051359
Zn      -1.59054000       0.72788000     -13.79893000      -1.25180245       1.04410554      -0.47511861
Zn       0.19048000       0.49367000     -16.62687000       0.06317665      -0.43094704       1.53556399
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.10862655 magmom=1.9797612 free_energy=-65.1099184 stress="0.0076909925722466275 0.009112039234919288 0.011006812607959885 0.009112039234919288 0.024556655052396584 -0.0012439990224079047 0.011006812607959885 -0.0012439990224079047 0.03544310958778409" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.40894000       2.40364000      -5.41599000      -1.58167433       0.84415728      -1.10940944
O        1.22643000       2.64987000      -1.69322000       0.11648900       0.97050142       0.39948034
O       -0.02603000       1.64908000      -4.35486000       1.18336485      -0.89063927       0.81282807
O       -1.45844000       0.56186000      -6.00456000       0.18124285       0.11683723       0.59449232
O       -1.46473000       2.40407000      -7.49988000      -1.36067569      -0.76490001      -1.05675686
O       -1.42804000       1.10896000     -10.18399000      -0.69834131      -0.18333806      -0.52582498
O       -1.55608000       2.56175000     -12.96358000      -0.28446300       0.48258134      -1.12937762
O       -1.24163000       1.31935000     -15.84487000      -1.46823087      -0.00170333       1.27352840
Zn      -0.41680000       1.86471000      -2.44478000       0.30489171      -0.69497098      -0.21077028
Zn      -1.61446000       0.35270000      -8.34124000       1.42318032       1.12931546       0.64597808
Zn       0.05389000       0.23588000     -11.05349000       0.60930107      -0.34528861       0.75921850
Zn      -1.71714000       0.77136000     -13.85669000       0.67467469       0.09636922       0.22530743
Zn       0.24593000       0.43314000     -16.53960000       0.90024070      -0.75892169      -0.67869396
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.16067102 magmom=2.0054869 free_energy=-65.16144179 stress="-0.0001124112957721671 0.012735263812432732 0.0014421184655948264 0.012735263812432732 0.013775981126836827 -0.011438681386356177 0.0014421184655948264 -0.011438681386356177 0.039245533859184376" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.47724000       2.50957000      -5.40940000       0.23721418      -0.49444658       0.80053535
O       -0.30577000       0.00674000      -1.59013000      -0.61165908       0.36642043      -0.44473031
O        0.13968000       1.46699000      -4.27804000       0.05326493       0.65671325       0.02209946
O       -1.43790000       0.62935000      -5.83945000      -0.83266484       0.05589690      -1.02392050
O       -1.57950000       2.48058000      -7.54686000       1.01224681      -0.77382014      -0.61252983
O       -1.45068000       1.05996000     -10.44124000      -0.68605500      -0.00258569       1.66801557
O       -1.48266000       2.48749000     -12.98600000      -0.22939743       0.87521664      -0.99394353
O       -1.35563000       1.29664000     -15.82449000       0.20113117      -0.64717760       0.84772575
Zn      -0.52278000       1.83490000      -2.44737000       0.92029089      -0.36643003       0.17798622
Zn      -1.52579000       0.35820000      -8.34607000      -0.57266917       1.24693088      -0.13621057
Zn       0.10778000       0.22294000     -11.07409000       0.55075387      -0.69303053      -0.35649978
Zn      -1.79896000       0.81693000     -13.89627000       0.58236820      -0.26685934       0.53594049
Zn      -2.88941000       0.34253000     -16.48492000      -0.62482454       0.04317182      -0.48446832
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95624822 magmom=2.0202265 free_energy=-64.95954399 stress="0.003041228661523607 -0.013986758412946129 0.00505117744506786 -0.013986758412946129 -0.0020070876008628376 0.006992154032559954 0.00505117744506786 0.006992154032559954 0.0188372701474886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.53966000       2.58345000      -5.39292000       0.13611073      -1.03764394       0.77430647
O       -0.35768000       0.18013000      -1.58300000       0.30022667      -1.72623843       0.29884165
O        0.29416000       1.42341000      -4.20980000      -0.79489399       0.98047925       0.28520827
O       -1.52720000       0.68004000      -5.81118000       0.58737032      -0.11810526      -1.52222566
O       -1.51378000       2.37594000      -7.66093000       0.32870174       0.03764621      -0.00695908
O       -1.57417000       1.02260000     -10.32985000       1.12111449       0.17055263       0.14998970
O       -1.50315000       2.59410000     -13.18187000      -1.47227501       0.08745854       1.87926410
O       -1.42120000       1.17675000     -15.66963000       1.18351398       0.43299422      -1.70611338
Zn      -0.57200000       1.79834000      -2.44322000       0.08384152       1.52249466      -0.24359096
Zn      -1.46701000       0.43471000      -8.36227000      -0.39984752       0.74348227       0.18049859
Zn      -3.04151000       0.16326000     -11.11345000      -1.14111477      -0.80523218      -0.59640993
Zn      -1.83401000       0.84713000     -13.89852000       1.37045758       0.22030929       0.88656896
Zn      -2.84896000       0.25967000     -16.46192000      -1.30320575      -0.50819725      -0.37937873
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31565885 magmom=1.9998186 free_energy=-65.31766393 stress="0.041746228818769694 0.009209657829504636 1.7829401346361227e-05 0.009209657829504636 0.013511344235687903 -0.00040229956649733185 1.7829401346361227e-05 -0.00040229956649733185 0.018773264981847875" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.60562000       2.61342000      -5.35287000       1.30506379      -0.79906470       0.34044645
O       -0.37737000       0.03856000      -1.56914000      -0.36549497       0.10386504      -0.16250457
O        0.31460000       1.56491000      -4.14748000      -0.69026663       0.06425615      -0.80571272
O       -1.51426000       0.67900000      -6.00086000      -0.37501834       0.23174550       0.48232675
O       -1.32413000       2.29663000      -7.70824000      -0.67561588       1.84117594      -0.31530295
O       -1.49597000       1.00395000     -10.20754000       0.06000017      -0.17252781      -2.46646141
O       -0.20826000       0.00991000     -13.03816000       0.39534679      -0.19876144      -0.75745003
O       -1.25286000       1.09677000     -15.78509000      -0.67401944      -0.26638045       1.01845800
Zn      -0.61584000       1.82891000      -2.43859000       0.78799581      -0.13290115       0.24323330
Zn      -1.42871000       0.56072000      -8.37453000       0.28818400      -1.16986264       1.16164582
Zn      -3.02197000       0.05861000     -11.17816000      -0.14875131       0.02271833       1.97715864
Zn      -1.80016000       0.88703000     -13.85384000       0.09627365       0.31996849      -0.04947018
Zn      -2.87627000       0.13959000     -16.45818000      -0.00369764       0.15576873      -0.66636710
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13603798 magmom=2.0170553 free_energy=-65.14196319 stress="0.006710167244003265 0.026843958919163878 -0.009520074729578777 0.026843958919163878 0.01396043710763402 0.008296785502563738 -0.009520074729578777 0.008296785502563738 0.01866852725953845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.62173000       2.60596000      -5.34551000       2.09949018      -0.22623356      -0.02117512
O        1.11742000       2.65606000      -1.61089000      -0.50159747       0.85510360      -0.20189063
O        0.20706000       1.72557000      -4.25884000      -1.14045984      -0.70291938       0.29118825
O       -1.49102000       0.68668000      -5.98598000      -0.89276226       0.89579871       0.06994129
O       -1.30262000       2.54690000      -7.73181000      -1.09015074      -0.32434846      -0.77651905
O       -1.38032000       0.93580000     -10.48632000      -0.45738334      -0.53395279       1.11964380
O       -0.43380000       0.12343000     -12.97405000       2.75393558      -1.67487152      -0.45897905
O       -1.20199000       0.98486000     -15.77924000      -1.29106127       0.00204164       0.65137597
Zn      -0.61715000       1.86398000      -2.42370000       1.25093821      -0.82185179      -0.16520695
Zn      -1.36677000       0.65539000      -8.35020000       0.58715249       0.54424855      -0.25752880
Zn      -3.01363000      -0.05568000     -11.15862000       0.25136085       0.41234389       0.66700400
Zn      -1.76740000       0.96099000     -13.80750000      -2.03702824       1.47938898      -0.78757161
Zn      -2.90927000       0.01188000     -16.48315000       0.46756586       0.09525212      -0.13028209
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.42502461 magmom=2.0872761 free_energy=-65.43225422 stress="-0.0009218759160662945 0.006341153252459194 -0.016982785048014103 0.006341153252459194 -0.012362442675084129 -0.01417277125081365 -0.016982785048014103 -0.01417277125081365 0.020936647161441346" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.55603000       2.59522000      -5.38101000      -0.32351925       1.29990290       0.93380907
O        0.96531000       2.68404000      -1.68027000       1.49693269       0.76878203       0.40740470
O       -0.03782000       1.75553000      -4.36417000       0.35254347      -0.31239270       1.06401779
O       -1.55607000       0.80419000      -5.83067000      -0.15109964      -0.82251687      -1.94425622
O       -3.03485000      -0.05600000      -7.77823000       1.80771398      -1.40832793       0.16474982
O       -1.37318000       0.78312000     -10.56735000      -0.36364732       0.21300489       1.37621750
O       -0.16798000      -0.01818000     -13.07593000       0.29580962       1.77675978       0.26162456
O       -1.40431000       0.86850000     -15.68561000       0.01731282      -0.11475383      -1.13206541
Zn      -0.56651000       1.85260000      -2.41331000      -0.62340304      -0.80275127      -0.42806661
Zn      -1.30133000       0.76499000      -8.34815000      -2.05297611       1.23772667      -0.69480055
Zn      -1.39062000       2.64556000     -11.11626000       0.11848526      -0.07241029      -0.43374283
Zn      -1.81748000       1.07963000     -13.78677000       0.13368802      -1.89233729      -0.01811885
Zn      -2.92125000      -0.09688000     -16.50705000      -0.70784051       0.12931391       0.44322703
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.5381448 magmom=2.0017567 free_energy=-65.54153699 stress="-0.00246635010691076 -0.03907880130515009 -0.002323727316743031 -0.03907880130515009 -0.019815259078083285 -0.0023991377542887187 -0.002323727316743031 -0.0023991377542887187 0.016916821265602133" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.51344000       2.63619000      -5.39260000      -1.94491664       0.60511695       0.48050331
O       -0.51256000       0.03862000      -1.68083000       0.39687936      -0.78556016       0.16778972
O       -0.16970000       1.72534000      -4.31706000       1.07917359      -0.10877846      -0.02034392
O       -1.63829000       0.82158000      -5.93622000       1.22715972      -0.28848037      -0.92047199
O       -1.31513000       2.66482000      -7.78578000      -0.54119960       0.81608201      -0.09543701
O       -1.42235000       0.70090000     -10.36651000       0.45631366       0.36476059      -0.29434586
O        0.10015000       0.09115000     -13.11242000      -2.23379601      -1.28687763       1.59303346
O       -1.55274000       0.77863000     -15.79046000       1.00597501       0.60496646       0.54563943
Zn      -0.54421000       1.81162000      -2.41265000       0.15237614       0.54480449       0.23450157
Zn      -1.32126000       0.89538000      -8.38085000       0.00472923      -1.02379193       0.31516919
Zn      -1.37165000       2.57526000     -11.08529000      -0.47871876      -0.07137850      -0.28667041
Zn      -1.84927000       1.10970000     -13.77702000       2.39449251       0.84898342      -1.48110339
Zn      -1.36721000       2.61013000     -16.52405000      -1.51846822      -0.21984687      -0.23826409
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.76508159 magmom=2.0000345 free_energy=-65.76631773 stress="0.02611375473642163 -0.0031443685325307676 -0.004095196930737788 -0.0031443685325307676 0.004445492124609587 -0.0014691873039719245 -0.004095196930737788 -0.0014691873039719245 0.0057837907629515704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.55117000       2.70746000      -5.41645000      -0.31229016      -0.62495970      -0.10960154
O       -0.29066000       0.03065000      -1.66600000      -0.86456051      -0.16383624       0.21128559
O       -0.09275000       1.70226000      -4.32086000       0.48048487       0.31504889      -0.14575045
O       -1.56072000       0.78773000      -6.08291000       0.33756172       0.64554987       0.74834431
O       -2.89435000      -0.05746000      -7.70254000      -0.93345122       0.52605534      -0.69623751
O       -1.38816000       0.69662000     -10.26424000      -0.01364987      -0.11782617      -1.23869331
O       -0.01851000       0.08844000     -12.89218000      -0.16670616       0.35594374      -1.80336319
O       -1.50984000       0.77814000     -15.80334000      -0.18251012      -0.62248415       0.90697324
Zn      -0.51608000       1.79535000      -2.40188000       1.19897778      -0.01114557      -0.79554139
Zn      -1.35338000       0.97326000      -8.39741000       0.25451260      -0.79786210       1.35712776
Zn      -1.37686000       2.50539000     -11.06394000       0.01974828       0.19828644       0.95544483
Zn      -1.77652000       1.14098000     -13.83036000       0.34269235      -0.64167770       0.55414692
Zn      -1.48814000       2.53189000     -16.52551000      -0.16080956       0.93890734       0.05586475
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.38702323 magmom=2.0195666 free_energy=-65.38910329 stress="-0.006588557074768171 0.033420359993309424 -0.004649146600504433 0.033420359993309424 0.008991590448253282 -0.005913348426760417 -0.004649146600504433 -0.005913348426760417 0.01664531317195463" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.19720000      -0.02616000      -5.49177000       2.42711351      -0.48080841       1.25180437
O        1.37925000       2.74608000      -1.66068000      -0.80460649       0.19630235      -0.75084347
O        0.12023000       1.74074000      -4.39825000      -0.24805844       0.37311628       0.61906996
O       -1.44063000       0.88700000      -5.97498000      -2.39348220       0.60013461      -1.10525233
O        0.12466000       0.15205000      -7.65219000       1.01815212      -1.14784095      -0.31563233
O       -1.35102000       0.66375000     -10.37815000      -0.48779039      -0.38373717       1.14064792
O       -0.27742000       0.08624000     -12.94632000       1.02659588      -0.21429566      -0.31610232
O       -1.47823000       0.67841000     -15.67104000      -0.96129022       0.04806205      -1.39088279
Zn      -0.40981000       1.77998000      -2.42733000       1.21082351      -0.23428209      -0.79114540
Zn      -1.38364000       1.01442000      -8.35588000      -1.00707844       0.34633386      -0.06898408
Zn      -1.38544000       2.43836000     -11.00193000       0.03939692       1.01886180      -1.19428505
Zn      -1.64763000       1.15771000     -13.86379000      -0.55026934      -0.12118797       1.88596547
Zn      -1.65259000       2.48035000     -16.51133000       0.73049359      -0.00065872       1.03564005
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.36526139 magmom=2.0001691 free_energy=-65.36526171 stress="-0.00691989118182494 0.01731866967085381 0.007946466341296896 0.01731866967085381 -0.013913541029495968 -0.014133198048223574 0.007946466341296896 -0.014133198048223574 0.03303306241204141" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.14571000       0.03352000      -5.55373000      -0.32379297       1.17002584       1.91197979
O        1.28502000       2.70684000      -1.77044000       0.93120753      -0.00965068       0.36778685
O        0.28559000       1.86044000      -4.40427000      -1.34908569       0.22630778      -0.15019432
O       -1.59299000       1.02273000      -5.96158000       1.57347901      -1.23226413      -1.49118272
O        0.08465000       0.13780000      -7.60821000       0.40895617      -0.42255568      -0.61907171
O       -1.40827000       0.56879000     -10.29258000      -0.08812885       0.33636451       0.16857561
O       -0.29989000       0.02900000     -13.08564000       1.44763428       0.15344044       1.65526100
O       -1.67543000       0.58282000     -15.75485000      -0.93258850       0.44790015       0.20681453
Zn      -0.23309000       1.75131000      -2.49265000      -0.58270775       0.03713204       0.19896644
Zn      -1.46324000       1.07011000      -8.31471000      -0.47087709      -0.20140168       0.15877519
Zn      -1.39345000       2.41489000     -10.98835000      -0.36413790       0.36717961      -0.93829040
Zn      -1.54619000       1.16793000     -13.81579000      -1.02143669      -0.84784459      -0.70688964
Zn       1.42925000       2.43783000     -16.44864000       0.77147845      -0.02463362      -0.76253063
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.67614195 magmom=1.9984688 free_energy=-65.67648719 stress="0.010948804440325036 -0.01782489654339113 -0.004405448649272913 -0.01782489654339113 -0.0009165134548441915 -0.0036566066212317563 -0.004405448649272913 -0.0036566066212317563 0.034330921713571924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.10151000       0.13229000      -5.52512000       0.18176535      -0.72357766       0.21126045
O        1.38287000       2.68186000      -1.80065000       0.84744144       0.12439314       0.73409972
O        0.18920000       2.00632000      -4.47167000      -0.64216329      -0.32979095      -0.22187425
O       -1.50231000       0.99674000      -6.13331000       0.35324206       0.75704310       0.76731686
O       -3.06576000       0.04749000      -7.62186000      -0.53749999       1.23023218      -0.39710364
O       -1.48217000       0.54267000     -10.17674000       0.30538977       0.48293924      -0.90119461
O       -0.02953000       0.02981000     -12.91725000       0.20665358       0.72825513      -0.84254693
O       -1.99893000       0.58120000     -15.79402000       1.38000866       0.22479510       1.30986436
Zn      -0.09929000       1.72352000      -2.54467000      -0.74218522      -0.11038195       0.25792534
Zn      -1.56360000       1.10536000      -8.28009000       0.42941216      -1.33778576      -0.29073008
Zn      -1.41894000       2.41660000     -11.02215000      -0.39885550       0.00250155       0.87443788
Zn      -1.50557000       1.12825000     -13.79519000      -0.48328816      -1.35791145       0.07736289
Zn       1.33805000       2.39343000     -16.43223000      -0.89992088       0.30928835      -1.57881800
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.70453765 magmom=2.0001543 free_energy=-65.70467994 stress="0.006350387465346792 -0.008705066076320567 -0.0023543435854884247 -0.008705066076320567 0.021264062037672695 0.009877577611947639 -0.0023543435854884247 0.009877577611947639 0.028980392047423392" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.05759000       0.18367000      -5.52190000       0.19631122      -0.23843965      -0.33592392
O       -1.58247000       2.67461000      -1.71242000      -0.42536014      -0.14853289      -0.52669545
O        0.01015000       2.06600000      -4.55053000       1.26660950      -0.32943733       1.65608666
O       -1.38046000       1.09504000      -6.08420000      -1.89426032       0.37264455      -0.22461821
O        0.08916000       0.16786000      -7.63634000      -0.58613671      -0.46017611      -0.15929975
O       -1.48729000       0.62332000     -10.23007000       0.12363424       0.12391432      -0.05021071
O       -2.97712000       0.17133000     -12.90937000      -1.17316564      -0.86573025      -0.38974054
O       -2.04095000       0.61265000     -15.61459000       0.62148160      -0.20458945      -1.05313127
Zn      -0.02170000       1.69614000      -2.57189000       0.15655810       0.27083966       0.42963157
Zn      -1.62267000       1.07971000      -8.27154000       1.06986598       0.11294811      -0.60582802
Zn      -1.46186000       2.42033000     -11.01630000      -0.12426531       0.46255922       0.13498702
Zn      -1.49184000       1.02466000     -13.77406000       0.81981132       0.36032582       0.90120151
Zn       1.22728000       2.37524000     -16.48735000      -0.05108382       0.54367400       0.22354111
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.49020847 magmom=2.0107158 free_energy=-65.49129959 stress="-0.00014141176887656155 -0.0029219525920072646 0.016247414518508 -0.0029219525920072646 0.006850800896420121 0.008924210467420647 0.016247414518508 0.008924210467420647 0.031554297942979946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.01857000       0.22791000      -5.56400000      -2.61366916       0.58323476       2.28938424
O       -1.42902000       2.64845000      -1.72384000      -0.90747467       0.08399554      -0.08180315
O        0.04424000       2.06869000      -4.39872000       0.24712677       0.26540925      -1.30129695
O       -1.56002000       1.21891000      -5.96792000       1.77278670      -0.99352943      -1.31715137
O       -0.06366000       0.21194000      -7.60312000       1.12062203      -0.55023632      -0.46434420
O       -1.46587000       0.71559000     -10.29085000      -0.25720103      -0.65524513       0.52781870
O       -3.00109000       0.11968000     -12.98673000      -0.73173362      -0.97875305       0.74334253
O       -1.91072000       0.61183000     -15.64250000      -0.07766663       0.11637950      -0.63038487
Zn       0.06204000       1.68040000      -2.56297000       0.43957809      -0.20437060       1.35473376
Zn      -1.63103000       1.05294000      -8.30500000      -0.34877946       0.41938106      -0.20129501
Zn      -1.51050000       2.45500000     -11.00195000       0.21568333       1.21074379      -0.83386363
Zn      -1.43017000       0.94042000     -13.71113000       0.34535976       0.48006097      -0.40084889
Zn       1.11204000       2.38706000     -16.53690000       0.79536790       0.22292966       0.31570885
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.51366265 magmom=1.9999987 free_energy=-65.51370129 stress="0.0015340907788135914 0.024673893125628614 0.0122857161154751 0.024673893125628614 -0.006986900541845679 -1.9597577191160073e-05 0.0122857161154751 -1.9597577191160073e-05 0.02365034705167507" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09655000       0.31826000      -5.49992000      -0.26535893      -1.09902590       0.54119811
O       -1.45703000       2.62150000      -1.78129000      -0.08421011      -0.13364320       0.40114995
O        0.16914000       2.11579000      -4.44628000      -0.47871954      -0.01186296       0.33575323
O       -1.52743000       1.18466000      -6.03243000       0.32589456       0.33352060      -0.30906845
O       -0.03277000       0.13676000      -7.60313000       0.35729828       0.28496444      -0.94655388
O       -1.50601000       0.70529000     -10.26328000      -0.42591519       0.18999137      -0.72746089
O       -1.62547000       2.57153000     -12.92601000       0.89551255       0.37305714      -0.65333158
O       -1.81318000       0.67653000     -15.81522000      -1.26988946       0.75349223       1.73427412
Zn       0.19124000       1.65450000      -2.47773000      -0.30272175       0.23562567      -0.50680912
Zn      -1.64916000       1.04332000      -8.36220000       0.08609123       0.08790117       1.27496586
Zn      -1.55826000       2.56539000     -11.02456000       0.35956662      -0.01376465       1.11931355
Zn      -1.32876000       0.86962000     -13.65946000      -1.19818710      -0.49255542      -1.58004492
Zn       1.02946000       2.40805000     -16.58524000       2.00063885      -0.50770051      -0.68338599
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.73413773 magmom=1.9996606 free_energy=-64.73732607 stress="-0.01406663911919192 -0.003117114783204307 -0.009672511381586627 -0.003117114783204307 -0.02463011665985733 0.0024593089543601962 -0.009672511381586627 0.0024593089543601962 0.01324114012436849" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03427000       0.35061000      -5.42017000       3.30997128      -1.30578097      -0.53599024
O       -1.48467000       2.59788000      -1.76673000       1.30675327       0.52798988       0.37444466
O        0.19946000       2.14900000      -4.47288000      -1.02248426      -0.38086525       1.90365763
O       -1.42558000       1.19884000      -6.10295000      -2.42384655       0.87874596      -0.11779370
O        0.08576000       0.09113000      -7.73852000      -1.04748853       0.18706567      -0.53022616
O       -1.63093000       0.73011000     -10.33514000       0.48189186       0.75655930       0.25288705
O       -1.71462000       2.32316000     -12.91659000       0.19939164       1.39880059       0.10934495
O       -1.91797000       0.82427000     -15.69402000       0.35386278      -1.32013450      -0.22589141
Zn       0.31133000       1.62829000      -2.40234000      -1.55379196      -0.23871266      -1.79755303
Zn      -1.66261000       1.04002000      -8.37509000       1.09930520       0.05202898       0.32697434
Zn      -1.59507000       2.69226000     -11.00835000      -0.38109529      -0.68179198       0.02591388
Zn      -1.27462000       0.75253000     -13.69133000      -0.57420297      -1.12605546      -1.38529573
Zn       1.03295000       2.42595000     -16.65653000       0.25173353       1.25215043       1.59952775
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.38729988 magmom=2.0550291 free_energy=-65.39697916 stress="0.020126478723612142 0.0035238553207579053 -0.006326625565749861 0.0035238553207579053 0.004492716899342737 0.008438209679560443 -0.006326625565749861 0.008438209679560443 0.019138232952550148" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03635000       0.32319000      -5.41501000       0.13524069       0.25250844       1.86578624
O       -1.26796000       2.63705000      -1.67669000      -0.36042183      -0.62630151       0.53504359
O        0.07385000       2.10831000      -4.21866000      -0.30504462       0.36350351      -1.59834411
O       -1.64400000       1.28370000      -6.00957000       0.24553994      -1.04265005      -0.67594535
O       -0.00842000       0.12266000      -7.90904000      -0.03081311       0.25374741       0.21150950
O       -1.66975000       0.92118000     -10.37561000       0.24145949       0.00830226       0.45954977
O       -1.70255000       2.32430000     -12.90741000       1.17919326      -0.43375611      -0.06402965
O       -1.98093000       0.72316000     -15.62158000       0.08047288      -0.14720183      -1.25090443
Zn       0.36324000       1.59791000      -2.41042000      -0.06817482       0.50772642      -0.28324700
Zn      -1.61828000       1.03707000      -8.37228000      -0.03252742       0.04211976       0.04072151
Zn      -0.03770000       0.01030000     -10.96145000      -0.13536102      -0.19350666      -0.67687370
Zn      -1.26499000       0.57697000     -13.80554000      -1.43897667       0.81792551      -0.10937850
Zn       1.06192000       2.50695000     -16.64135000       0.48941324       0.19758284       1.54611214
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.21022958 magmom=2.0413764 free_energy=-65.21857647 stress="0.016499266901548338 0.0012862911012713237 0.009862364326668373 0.0012862911012713237 0.018693314745190422 -0.0003833933487890276 0.009862364326668373 -0.0003833933487890276 0.018796416436886256" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03089000       0.29455000      -5.35386000      -2.03587093      -0.52261334       1.58199980
O       -1.10825000       2.57986000      -1.54204000      -0.98143298      -0.05717873      -0.90457679
O       -0.11819000       2.11132000      -4.26259000       0.34720286      -0.00921689      -0.15456940
O       -1.80210000       1.21800000      -5.91414000       2.10836079       0.14502772      -1.53515381
O       -0.07136000       0.16552000      -7.91741000       1.27672249      -0.52814616       0.59101485
O       -1.64959000       1.10243000     -10.32512000      -0.29906638      -0.92724980      -0.37728638
O       -1.46856000       2.28444000     -12.96075000       0.08108977       0.47960655      -0.93572237
O       -2.02547000       0.58819000     -15.78815000       0.04646387       0.89251364       0.85400766
Zn       0.40503000       1.58681000      -2.42938000       0.22765039       0.08579924       0.43509095
Zn      -1.58440000       1.04836000      -8.38115000      -1.38754693       0.66564005       0.40415806
Zn      -0.10308000       0.10034000     -10.97429000       0.43887904       0.47790109      -0.94527771
Zn      -1.32670000       0.43585000     -13.91566000      -0.66116657       0.09765484       1.36658039
Zn       1.11970000       2.59789000     -16.54123000       0.83871457      -0.79973820      -0.38026523
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.24440587 magmom=2.0013203 free_energy=-65.24951792 stress="0.006067095527299808 -0.024716251114828402 0.005097437656980696 -0.024716251114828402 0.02250220531990926 -0.0001304812760877855 0.005097437656980696 -0.0001304812760877855 0.022212026706662575" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.10407000       0.25571000      -5.26554000      -0.26329894      -0.36315423      -1.41885435
O       -1.17489000       2.50448000      -1.62213000      -0.64918601       0.20696054      -0.55197417
O       -0.20608000       2.10375000      -4.38470000       1.45407420      -0.39752032       1.98937726
O       -1.67885000       1.13229000      -5.94902000      -0.51629476       0.29151502      -0.16844084
O        0.08272000       0.12920000      -7.74129000      -0.86367247       0.29133232      -0.60335781
O       -1.69797000       1.09436000     -10.35912000      -0.28346462       0.08510364      -0.39486865
O       -1.26708000       2.32134000     -13.18208000      -2.07178319      -0.56444352       0.91449030
O       -2.02014000       0.65540000     -15.82730000       0.78937223       0.93234087       0.34967863
Zn       0.45268000       1.58219000      -2.41347000      -0.29276572       0.07888397       0.11719805
Zn      -1.61256000       1.08571000      -8.37622000       0.57800646      -0.16964612       0.88202451
Zn      -0.13571000       0.19646000     -11.03399000       0.64202353      -0.52659306      -0.85139791
Zn      -1.41055000       0.32514000     -13.94132000       1.37500186       1.09380068       0.62939714
Zn       1.20607000       2.63729000     -16.45996000       0.10198743      -0.95857980      -0.89327217
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.22286868 magmom=1.9998705 free_energy=-65.22470036 stress="-0.008129877081526817 -0.014128204497639867 -0.018996576472825287 -0.014128204497639867 0.004707385129758099 0.005590135446819772 -0.018996576472825287 0.005590135446819772 0.03344777273883936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.18516000       0.19744000      -5.29568000       2.28401072      -0.62188100       0.60174411
O       -1.33341000       2.50959000      -1.80921000       1.43209782       1.11668597       1.80528767
O       -0.02734000       2.01054000      -4.21678000      -0.24675505       0.01264855      -1.10039873
O       -1.62908000       1.09356000      -5.88338000      -1.69893533       0.49140877      -0.49847983
O        0.05574000       0.15648000      -7.61983000      -0.68842290       0.23027254      -0.84569008
O       -1.78757000       1.09175000     -10.46786000       0.63622881       0.47144614       0.58538027
O       -1.47810000       2.27087000     -13.24669000       0.21679942      -0.07989208       0.84469443
O       -1.86937000       0.88753000     -15.79322000      -0.00892857      -1.65481197       0.04657773
Zn       0.47074000       1.57352000      -2.38802000      -1.87631235      -0.87046929      -0.23819501
Zn      -1.61687000       1.11448000      -8.33337000       0.25851499      -0.22961469       0.17899832
Zn      -0.13696000       0.26163000     -11.14120000      -0.30249985      -0.96134496      -0.46494262
Zn      -1.43199000       0.27198000     -13.91767000      -0.62882255       0.91960420       0.38858197
Zn       1.30565000       2.63206000     -16.42775000       0.62302487       1.17594782      -1.30355823
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.18702745 magmom=2.0119499 free_energy=-65.18987579 stress="0.005791562378039664 0.018688450562366364 0.00041417649676392035 0.018688450562366364 -0.00390820363916772 0.0047296087033253005 0.00041417649676392035 0.0047296087033253005 0.018829866500571023" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.18056000       0.11954000      -5.34865000       0.93202480       0.69946781       0.55461755
O       -1.28540000       2.65488000      -1.66106000      -0.13221922      -1.64125169       0.60647625
O        0.15650000       1.91375000      -4.24626000      -1.66443834       0.40882903       0.46556201
O       -1.77476000       1.07174000      -5.79910000       0.91563919      -0.88300154      -1.77631981
O       -0.12197000       0.22589000      -7.60390000       0.89958761      -0.57059862      -0.01431617
O       -1.76718000       1.17954000     -10.46627000       0.16021753      -0.24262905       0.46208379
O       -1.71365000       2.14225000     -13.08888000       1.26425603       0.16433321      -0.21243641
O       -1.69473000       0.83505000     -15.75697000      -0.31544062      -0.41514578       0.04608761
Zn       0.40676000       1.54310000      -2.36575000      -0.13838853       1.68662397      -0.31899295
Zn      -1.61014000       1.13465000      -8.28498000      -1.14983460       0.32332249      -0.77085572
Zn      -0.14677000       0.27982000     -11.27756000       0.04764008      -0.24212426       1.25952287
Zn      -1.47901000       0.28216000     -13.87615000      -1.42544667       0.65083816       0.06865116
Zn      -0.15313000      -0.11353000     -16.44363000       0.60640275       0.06133627      -0.37008018
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.16176104 magmom=2.0022139 free_energy=-65.16278873 stress="0.014584884772773737 0.009988154777848075 0.011279865743500933 0.009988154777848075 0.026173723511869137 -0.019302031054827386 0.011279865743500933 -0.019302031054827386 0.004749549070439164" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12857000       0.06752000      -5.39629000       0.28693933      -0.43407834       0.48130786
O       -1.20642000       2.53873000      -1.50141000      -0.24428094      -0.25407142      -2.66345840
O        0.04085000       1.90231000      -4.27747000      -0.53580505      -0.14594457       0.14825324
O       -1.73774000       0.92447000      -5.95913000       0.38389837       0.92328607      -0.01726973
O       -0.13563000       0.18918000      -7.54754000       0.50039224      -0.08291177      -0.61324505
O       -1.69348000       1.22544000     -10.35416000      -0.11517827      -0.47574761      -0.34891051
O       -1.67504000       2.06075000     -12.99194000       0.20925836       1.19952892      -1.24009602
O       -1.56974000       0.64396000     -15.70515000       0.06499649       0.65265078      -0.00273198
Zn       0.32397000       1.57741000      -2.34838000       0.31508666       0.12830783      -0.15878587
Zn      -1.65737000       1.16665000      -8.28341000      -0.46849843      -0.37829164      -0.68145553
Zn      -0.15775000       0.28413000     -11.34283000       0.14229036       0.26422176       2.90046727
Zn      -1.60640000       0.32449000     -13.82455000      -0.17972772      -0.86039006       0.41841310
Zn       0.01910000      -0.05339000     -16.48089000      -0.35937142      -0.53655994       1.77751162
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.23351296 magmom=1.9986243 free_energy=-65.23397614 stress="-0.020016848594374397 -0.004710864945858035 0.007215136383795122 -0.004710864945858035 0.020848556292951743 -0.012233532162149 0.007215136383795122 -0.012233532162149 0.035317900920153036" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05994000       0.00666000      -5.45484000       0.53194284       0.08295069       0.83386817
O       -1.26625000       2.40568000      -1.74456000      -1.55511063       1.44090973       1.57772359
O       -0.18936000       1.87602000      -4.30146000       0.87422572      -0.28819303      -0.66009179
O       -1.61187000       0.91050000      -6.03901000      -1.06953656       0.50946153       0.55958436
O       -0.01559000       0.12379000      -7.53509000      -0.32196294       0.49791003      -1.19712655
O       -1.65103000       1.17127000     -10.32362000      -0.48652917      -0.02167709      -0.99794044
O       -1.59557000       2.22792000     -13.12707000      -1.42229178      -0.06821383       0.96396103
O       -1.43962000       0.59850000     -15.67326000       0.14303394       0.79616030      -0.18115192
Zn       0.27390000       1.61626000      -2.34928000       1.08859374      -0.94411128      -1.24193893
Zn      -1.73387000       1.17815000      -8.32675000       0.33549635      -0.99893886       0.20469502
Zn      -0.15900000       0.29616000     -11.25631000       0.47392658      -0.50855720       1.55368166
Zn      -1.74026000       0.32979000     -13.75364000       1.52875259       0.66158659      -0.71258971
Zn      -3.04057000      -0.03827000     -16.45078000      -0.12054068      -1.15928758      -0.70267450
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.60752623 magmom=2.0001645 free_energy=-65.60768702 stress="-0.022564231683738223 -0.019183509658662473 -0.006854945533106109 -0.019183509658662473 0.0028168541104703656 -0.012515471146987292 -0.006854945533106109 -0.012515471146987292 0.03737088437859198" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.19549000      -0.03888000      -5.49770000      -1.43265729       1.45225751       0.89043979
O       -1.52687000       2.56452000      -1.72615000       1.26500457       0.43507652       0.33921130
O       -0.21561000       1.80541000      -4.44255000       1.36966441       0.03774488       1.12293278
O       -1.66368000       0.95944000      -5.94491000       0.39070384      -1.19376057      -1.53662839
O        0.00950000       0.14370000      -7.67176000      -1.13365161      -0.26891178      -0.06534388
O       -1.72195000       1.11933000     -10.44549000      -0.27118722       0.36784910       0.74460829
O        1.42081000       2.40363000     -13.07570000       0.28554009      -0.45523187       0.59592187
O       -1.30247000       0.73031000     -15.69059000      -0.33546493       0.45104003      -0.14845623
Zn       0.25721000       1.60669000      -2.40833000      -1.39113130      -0.11233798      -0.82703458
Zn      -1.78315000       1.14101000      -8.37225000       1.04773414      -0.22535262      -0.25862385
Zn      -0.13462000       0.28037000     -11.09626000       0.24530013      -0.80533630      -0.27758026
Zn      -1.78887000       0.36282000     -13.72302000       0.09799948       1.04487724      -0.68429246
Zn      -2.90493000      -0.07768000     -16.44248000      -0.13785432      -0.72791417       0.10484561
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.68319868 magmom=2.0038138 free_energy=-65.68613429 stress="0.0121483661397339 -0.0008354438659401016 -0.0028405583510059916 -0.0008354438659401016 -0.0029513502185788483 0.009570298948903499 -0.0028405583510059916 0.009570298948903499 0.022090467443175915" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.19039000      -0.01438000      -5.49849000      -1.29366007      -0.64426303       0.94129225
O       -1.55241000       2.75164000      -1.64561000       0.18867572      -1.39801369      -0.56743288
O       -0.00889000       1.76328000      -4.42588000      -0.01978507       0.40072781      -0.15170990
O       -1.66458000       0.86562000      -6.04454000       0.97030973       0.70503266      -0.78631819
O       -0.16924000       0.13660000      -7.78348000       0.37120898      -0.02984698      -0.25342124
O       -1.80568000       1.14322000     -10.40636000       0.83983868      -0.08718545       0.81178165
O        1.26590000       2.42714000     -12.89771000       1.13880028      -0.20048467      -0.74535005
O       -1.24471000       0.90963000     -15.71642000      -0.24032230      -1.26639933       0.79009251
Zn       0.18647000       1.60276000      -2.49655000      -0.12562736       1.43308528       0.40063399
Zn      -1.77944000       1.08979000      -8.42429000       0.01762517      -0.34014515       0.53618511
Zn      -0.10948000       0.22549000     -10.97054000      -0.86497296      -0.33184296      -0.90431374
Zn      -1.81511000       0.45335000     -13.73650000      -0.66004140       0.84758333       0.01811250
Zn      -1.19546000       2.64480000     -16.45197000      -0.32204939       0.91175217      -0.08955202
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.72614084 magmom=1.9997724 free_energy=-65.72899669 stress="0.023541582413783277 0.013924178726850138 0.006341905978459775 0.013924178726850138 0.010282261447414077 0.0032867635949965297 0.006341905978459775 0.0032867635949965297 0.0018075346078598828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02940000       0.00091000      -5.48810000       1.36984321      -0.44888632      -0.19947441
O       -1.50624000       2.65711000      -1.71242000       0.23746075      -0.17857828      -0.07294152
O        0.18428000       1.79586000      -4.46767000      -0.99565763       0.07879577       0.15029305
O       -1.56065000       0.87263000      -6.16447000      -1.06663592       0.72523263       0.27244711
O       -0.23749000       0.08864000      -7.84058000       1.31202185      -0.26296281      -0.34767740
O       -1.72968000       1.13294000     -10.25449000      -0.04530524      -0.65135047      -1.93789815
O        1.37913000       2.41556000     -12.88816000       0.08557413       0.68944897      -0.49435003
O       -1.24387000       0.83743000     -15.61424000       0.21159442      -0.36251434      -0.40721449
Zn       0.10653000       1.66818000      -2.54753000       0.00062206       0.28865445       1.00799448
Zn      -1.77437000       1.02627000      -8.44206000      -0.64283886      -0.15308607       2.54883679
Zn      -0.12562000       0.15753000     -10.90440000      -0.01171848       0.26054841      -1.06608395
Zn      -1.87529000       0.58380000     -13.74333000       0.28563108      -0.11697964       0.95328028
Zn      -1.11440000       2.62239000     -16.44310000      -0.74059138       0.13167771      -0.40721175
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.29083306 magmom=2.0336905 free_energy=-65.2942759 stress="-0.03629203296635697 -0.0025243393128408834 0.029890118666247863 -0.0025243393128408834 -0.018522430563979928 -0.010088402389699882 0.029890118666247863 -0.010088402389699882 0.02816420345558946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03842000      -0.00219000      -5.55603000       1.29045865       1.20820434       0.60988664
O       -1.44533000       2.49551000      -1.82272000      -1.78764331       1.45698930       1.28685691
O        0.19101000       1.86416000      -4.53160000      -1.32339158      -0.10303961       0.72547314
O       -1.59039000       0.99461000      -6.09661000      -0.07378191      -1.37240133      -1.03240098
O       -0.02892000      -0.02208000      -7.84136000      -1.43344049       0.00489333       0.47417783
O       -1.65954000       0.97761000     -10.39586000      -1.25614333       0.44086140       0.86945138
O       -1.68205000       2.53919000     -13.01537000      -1.39004480      -0.17178167       0.90978521
O       -1.18441000       0.62827000     -15.59167000       0.54262186       0.74021275      -0.77729598
Zn       0.02273000       1.76600000      -2.54710000       2.03518661      -1.18271864      -0.43349598
Zn      -1.79264000       0.93622000      -8.35124000       1.58145925       0.15799432      -0.54296164
Zn      -0.14335000       0.08349000     -10.89571000       1.21253871      -0.74047083      -1.45534274
Zn      -1.92786000       0.74298000     -13.69546000       1.78254332       0.37245341      -0.34447057
Zn      -1.06474000       2.60913000     -16.45118000      -1.18036299      -0.81119679      -0.28966322
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.5914134 magmom=2.0118885 free_energy=-65.59289656 stress="-0.014812004595442416 -0.015698322459256297 0.0038724747568105325 -0.015698322459256297 -0.011238064153632168 -0.0017065208445213634 0.0038724747568105325 -0.0017065208445213634 0.032565878850452395" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01405000       0.04314000      -5.63203000      -0.76870675      -0.67984035       2.26854864
O       -1.65334000       2.59219000      -1.74420000       0.88167860       0.68911625      -0.26181964
O       -0.05413000       1.93066000      -4.52820000       0.22230638      -0.31785254      -0.34848432
O       -1.62712000       0.93348000      -6.08711000       0.37210419       0.32184599      -0.63428174
O        1.55431000       2.66265000      -7.68259000      -0.52912467       0.83181036      -0.62289328
O       -1.78595000       0.85883000     -10.41805000       0.78528170       0.39234999       1.40025721
O       -0.16368000      -0.07646000     -12.97723000      -0.43793837       0.58575850       0.03836884
O       -1.03111000       0.55565000     -15.74782000      -1.23279445       1.08496756       0.66468999
Zn       0.00963000       1.82446000      -2.54513000      -0.49210567      -0.63534875       0.48000852
Zn      -1.73718000       0.83339000      -8.27010000       0.64815346      -0.22089080      -1.22124179
Zn      -0.11464000      -0.03580000     -10.96820000      -0.71634706      -0.42047563      -0.48903341
Zn      -1.89673000       0.93751000     -13.64833000       1.01641693      -0.83200754      -0.94149172
Zn      -1.06740000       2.54901000     -16.47471000       0.25107572      -0.79943303      -0.33262731
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.40434737 magmom=1.9976497 free_energy=-65.40470194 stress="0.002937061887502984 0.009801131945215313 -0.014214935228943768 0.009801131945215313 0.0014141992403238542 0.018702610699086294 -0.014214935228943768 0.018702610699086294 0.01886391003815102" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02313000       0.05520000      -5.59769000      -1.56569919      -0.85670276       0.97066004
O       -0.11272000       0.04249000      -1.68534000       0.75538321      -0.26483968      -0.47673064
O       -0.22510000       1.92269000      -4.55898000       1.35379203      -0.46913578       1.22945607
O       -1.62311000       0.90617000      -6.13064000      -0.26906873       0.80126172       0.24608362
O        1.44428000       2.67935000      -7.59169000       1.65604210      -0.23105671      -1.17129870
O       -1.80571000       0.82788000     -10.19941000       0.26900372      -0.10562788      -1.19460188
O       -0.34034000       0.13298000     -12.94461000       1.19878552      -0.33016197      -0.28468213
O       -1.09848000       0.68747000     -15.76219000      -0.65494453      -0.14476567       0.90680078
Zn      -0.00943000       1.84163000      -2.52589000      -0.45569861       0.16294903      -0.02682294
Zn      -1.65692000       0.74625000      -8.26218000      -1.08668262       0.69752015      -0.26966111
Zn       1.49249000       2.63055000     -11.06747000      -0.28660274       0.21891714       1.53962056
Zn      -1.81734000       1.07721000     -13.65851000      -0.60159051      -0.10406624      -1.27571159
Zn      -1.07045000       2.46402000     -16.50998000      -0.31271964       0.62570866      -0.19311207
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.83739509 magmom=2.0001706 free_energy=-65.83752724 stress="0.017046676537049117 -0.004861787619963254 -0.0009995193471244042 -0.004861787619963254 0.0036447948211128962 0.014528889123582949 -0.0009995193471244042 0.014528889123582949 0.024482029877838547" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04368000       0.02060000      -5.52560000      -0.36661122       0.23918915       1.00741133
O       -0.00457000       0.14813000      -1.73404000       0.11870945      -1.28453191       0.68285200
O       -0.14309000       1.83872000      -4.43119000       0.41282006       0.31484435      -0.49492739
O       -1.67899000       0.97918000      -6.05737000       0.18784005      -1.03875262      -0.25744803
O       -1.59606000       2.67504000      -7.66521000      -0.80869488      -0.30394496       0.02773377
O       -1.74579000       0.78506000     -10.22378000       0.06267651      -0.42741884      -0.80428884
O       -0.24412000       0.25102000     -12.95853000       0.78300054      -0.38625580       0.04821393
O       -1.31640000       0.77798000     -15.60652000      -0.08035163      -0.52614407      -0.92446678
Zn      -0.04862000       1.86918000      -2.50689000       0.19365861       0.99624754       0.03371015
Zn      -1.63356000       0.70630000      -8.27843000       0.54461421       0.84629625      -0.28175811
Zn       1.47744000       2.54194000     -11.06584000      -0.06062495       0.68376683       0.61557068
Zn      -1.77903000       1.18006000     -13.73120000      -0.49066234      -0.06234429       0.08204506
Zn      -1.08546000       2.42520000     -16.54772000      -0.49637441       0.94904836       0.26535223
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.51747089 magmom=2.0401642 free_energy=-65.52181669 stress="-0.01058719103735907 -0.0010078621601616621 0.01335240016754088 -0.0010078621601616621 0.0042378241086864325 -0.006199253871923682 0.01335240016754088 -0.006199253871923682 0.012075021591776808" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13511000      -0.01521000      -5.42634000       1.09780767      -0.55125957       0.42728042
O       -3.10591000       0.01488000      -1.68493000      -1.50180728       0.70874478      -0.24532422
O        0.04170000       1.79935000      -4.39081000      -0.84460583       0.13319669       0.30402249
O       -1.71662000       0.88092000      -5.93126000       0.27811021       0.03137763      -1.02856529
O       -1.54782000       2.59906000      -7.66565000      -0.81310471       0.08809496      -0.46794145
O       -1.67757000       0.64924000     -10.42127000      -0.51766072       0.15966318       1.32314684
O        0.04103000       0.26887000     -12.96822000      -0.82120921      -0.27752137      -0.08465399
O       -1.55503000       0.75673000     -15.64911000       1.05231609       0.55715107      -0.55765064
Zn      -0.07312000       1.94156000      -2.48044000       1.47521055      -0.79431397      -0.04609259
Zn      -1.58785000       0.71490000      -8.31944000       0.28347881       0.22074064      -0.16860203
Zn       1.46091000       2.48663000     -11.02906000       0.72405140       0.27444579      -0.83685491
Zn      -1.76622000       1.28851000     -13.80441000       0.66470881      -0.24584572       0.67808139
Zn      -1.13419000       2.43667000     -16.56790000      -1.07729578      -0.30447412       0.70315399
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13190594 magmom=2.0011782 free_energy=-65.13427492 stress="-0.012359147963420341 -0.005169881161955849 -0.003392125661705324 -0.005169881161955849 -0.015359774909031055 0.006666869464532884 -0.003392125661705324 0.006666869464532884 0.008235687494560651" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42748000       2.70190000      -5.34389000       2.30786893      -0.86937790      -0.62897848
O       -0.06051000      -0.00854000      -1.70161000       0.57972263       0.80034267      -0.17517458
O        0.07958000       1.76461000      -4.33498000      -1.30672958      -0.52075200       0.48711194
O       -1.68296000       0.73742000      -5.90229000      -0.91408768       1.13608323      -0.79375765
O       -1.70205000       2.52333000      -7.65808000       0.78368347       0.33276935      -0.48310563
O       -1.70896000       0.52429000     -10.35383000      -0.02365009       0.67222486       0.17175845
O       -3.00873000       0.22712000     -13.00202000      -0.66431757       0.56484126       0.32549813
O       -1.58298000       0.83002000     -15.84384000       0.52409299      -1.27116197       1.68341454
Zn      -0.02538000       1.99232000      -2.43633000      -0.43403044      -0.78190079       0.34767415
Zn      -1.51307000       0.74324000      -8.39196000      -0.93359785      -0.20309787       0.88479323
Zn      -1.73389000       2.43212000     -11.03581000       0.33468645      -0.12768516      -0.67621909
Zn      -1.71763000       1.39690000     -13.85020000       0.39040833      -1.39854194      -0.44928085
Zn      -1.25963000       2.44388000     -16.54982000      -0.64404960       1.66625624      -0.69373416
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.38531078 magmom=2.0001403 free_energy=-65.38978142 stress="0.022458910218046295 -0.004021517482125527 -0.013645385674822602 -0.004021517482125527 0.01289667989892566 -0.008605197136827426 -0.013645385674822602 -0.008605197136827426 0.008114518038284934" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48856000       2.56217000      -5.30152000       0.08940382       0.18113448      -0.11212215
O       -0.14417000       0.19602000      -1.73541000       1.30674895      -0.41577549       1.25556481
O       -0.13469000       1.61963000      -4.23346000       0.00671416       0.28609595      -0.68943333
O       -1.71349000       0.72097000      -5.90475000      -0.13347314      -0.41534260      -0.19815990
O       -1.72044000       2.51339000      -7.68847000       0.90853673       0.21334852      -0.26772917
O       -1.77685000       0.52759000     -10.25250000       0.60322024       0.22005135      -1.78146344
O        0.23224000       0.30505000     -12.97969000      -0.53864335       0.28754573      -0.15026751
O       -1.43179000       0.71846000     -15.74829000      -0.43611609       0.12009169      -0.26855026
Zn       0.01241000       1.99857000      -2.36501000      -1.07294805       0.11220701      -0.58275903
Zn      -1.46941000       0.77030000      -8.43128000      -0.82987476      -0.11390727       1.98756559
Zn      -1.68124000       2.36437000     -11.08405000      -0.41352086       0.22795858      -0.10620941
Zn      -1.62383000       1.45642000     -13.92513000       0.31168680      -1.08348716       0.80838269
Zn      -1.47775000       2.53103000     -16.55381000       0.19826555       0.38007921       0.10518111
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.87606579 magmom=2.017318 free_energy=-64.88151175 stress="0.011258555646001847 0.006152041736246511 0.004281518692099492 0.006152041736246511 0.009697778277554555 -0.005939615655637459 0.004281518692099492 -0.005939615655637459 0.0017619765657237083" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.66344000       2.42686000      -5.32684000      -1.72933225       1.30745676       0.15035649
O        0.06204000       0.29512000      -1.59035000      -0.02168234      -1.38938940      -1.34265405
O       -0.33187000       1.51991000      -4.25431000       1.34532725       0.14453145       1.18640292
O       -1.76539000       0.64754000      -5.84881000       0.77662789      -0.92479411      -1.10353410
O       -1.55593000       2.56319000      -7.69194000      -0.00155434       0.34592380      -0.48217172
O       -1.71365000       0.57344000     -10.42065000       0.55619428      -0.55272458       0.78697058
O        0.14410000       0.44023000     -13.00207000      -0.31169517      -0.34775235      -0.62111201
O       -1.43768000       0.58566000     -15.64645000      -2.21223332       1.11162408      -0.49161877
Zn      -0.00936000       2.01638000      -2.32470000       0.12082317       1.07070837      -1.14482183
Zn      -1.47267000       0.78470000      -8.39015000      -0.44138682      -0.72730675       0.17340746
Zn      -1.64882000       2.31420000     -11.14304000      -0.23044696       1.20650111      -0.63673144
Zn      -1.51687000       1.45715000     -13.95365000       0.18322959      -0.19134491       1.97223751
Zn       1.55077000       2.65152000     -16.54853000       1.96612903      -1.05343347       1.55326896
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31991669 magmom=2.0045681 free_energy=-65.32339952 stress="-0.01194481986039975 0.007264551522533365 -0.00480602906697963 0.007264551522533365 0.0347025698216954 -0.011723123110248297 -0.00480602906697963 -0.011723123110248297 0.023797095548031603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.67660000       2.37350000      -5.36865000      -0.49587242       0.10690707       1.40748379
O       -3.05586000       0.11971000      -1.66323000      -2.26933196       0.90045242       0.66985360
O       -0.29127000       1.49599000      -4.17425000       0.61688043      -0.17531096      -1.13734650
O       -1.69756000       0.48733000      -5.88134000       0.47339734       0.64500656      -0.64746506
O       -1.44801000       2.64076000      -7.71173000      -1.06885517      -0.71194811      -0.46356817
O       -1.55783000       0.52518000     -10.44088000      -0.33972413       0.13181443       0.26058719
O        0.02538000       0.47526000     -13.12932000       0.83074129      -0.62154473       0.61662325
O       -1.80523000       0.69515000     -15.71244000       1.27574901       1.04378531      -0.04004755
Zn      -0.00721000       2.07433000      -2.34277000       2.02495235      -1.09465616      -0.51072361
Zn      -1.49586000       0.76483000      -8.35095000       0.44911992       0.00947678      -0.35131561
Zn      -1.63385000       2.32950000     -11.21651000       0.35144610       0.62198750       0.14260042
Zn      -1.42606000       1.44384000     -13.88205000      -0.97328653      -0.28072312       0.03475667
Zn      -0.12107000      -0.09122000     -16.45272000      -0.87521623      -0.57524699       0.01856159
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.39427694 magmom=2.00029 free_energy=-65.39766289 stress="0.0016988029438608073 -0.0001726596034473854 -0.017273421226294803 -0.0001726596034473854 -0.005689541466064064 -0.00124773582016308 -0.017273421226294803 -0.00124773582016308 0.029115741226274673" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.69953000       2.33612000      -5.36995000       1.19985558       0.00079963       0.56722227
O       -0.09005000       0.10925000      -1.67571000       1.81492513       1.07102130       0.74139102
O       -0.12129000       1.46498000      -4.31678000       0.38390787       0.07314756       0.28882834
O       -1.58581000       0.46391000      -5.94297000      -1.47654669       0.70773452      -0.63908841
O       -1.55590000       2.56936000      -7.75187000       0.29977153      -0.18490632      -0.28500677
O       -1.48752000       0.50146000     -10.40254000      -0.68733813       0.59586690      -0.58282991
O        0.08182000       0.38430000     -13.14241000       0.54008372       0.45377681       0.47281885
O       -1.93249000       1.00876000     -15.78993000       0.80383759      -1.73316046       1.30611277
Zn       0.06781000       2.08158000      -2.38294000      -1.97500191      -1.38292594      -0.71382598
Zn      -1.50311000       0.73989000      -8.33818000      -0.37443608      -0.39980138      -0.30285801
Zn      -1.60075000       2.38129000     -11.27268000       0.59646534       0.03658536       1.45230976
Zn      -1.39113000       1.41234000     -13.80358000      -0.83922669      -1.26799819      -0.94311193
Zn      -0.21985000      -0.07761000     -16.37027000      -0.28629727       2.02986023      -1.36196201
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.56647761 magmom=2.006284 free_energy=-65.57085529 stress="0.016772009727980174 0.000318760961413225 0.010606129854469539 0.000318760961413225 -0.010383685845879497 -0.0055986922499974105 0.010606129854469539 -0.0055986922499974105 0.012799310059686524" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.66332000       2.30849000      -5.39037000       0.94049878       1.81566422      -0.92816022
O       -0.09945000       0.30196000      -1.57600000       0.26737841      -0.81246750      -0.58915657
O        0.11108000       1.45932000      -4.44743000      -1.48749764       0.12794135       2.16564120
O       -1.66203000       0.56172000      -5.99487000       0.59749824      -1.33536768      -0.65610985
O       -1.64827000       2.44690000      -7.77423000       0.58212382       0.76192086      -0.21244255
O       -1.55839000       0.61137000     -10.47018000       0.27917762       0.15461533       0.36744224
O       -2.94284000       0.34701000     -13.06081000      -0.82363651      -0.03551749      -0.12332800
O       -1.81805000       1.03452000     -15.61480000      -0.51330312      -0.15996366      -0.86478226
Zn       0.07506000       2.01966000      -2.45261000      -0.35444633       0.34478837       0.09631778
Zn      -1.52803000       0.68750000      -8.35546000      -0.62356584      -0.97459387      -0.56997500
Zn      -1.53411000       2.44150000     -11.24945000      -0.17553685       0.17491272       1.19435577
Zn      -1.40321000       1.31306000     -13.76379000       0.52938845      -0.34405338       0.42131254
Zn      -0.35630000       0.03210000     -16.35134000       0.78192097       0.28212074      -0.30111507
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4078175 magmom=2.0152665 free_energy=-65.41125968 stress="0.009183374285322739 -0.0031547071118015906 0.016339853783990506 -0.0031547071118015906 0.008140997122706236 -0.0022026661194431032 0.016339853783990506 -0.0022026661194431032 0.006058977027859025" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58813000       2.34983000      -5.49850000      -0.47912153       0.55149969       1.03593868
O        0.01712000       0.34063000      -1.56210000      -0.17025311      -1.65590753      -0.23654295
O        0.13582000       1.51428000      -4.29526000      -0.39372091      -0.21350345      -2.09878558
O       -1.63947000       0.51854000      -6.03049000       0.97343966      -0.04812141      -0.34422455
O       -1.60671000       2.44863000      -7.75918000       0.07451731      -0.19144504      -0.37555419
O       -1.57729000       0.75597000     -10.45876000       0.65780004      -0.53819938       0.96118204
O       -2.93152000       0.31393000     -12.99080000      -1.03213494      -0.63433920      -0.04317070
O       -1.85419000       0.94002000     -15.54706000      -1.61521542       1.23331615      -0.45519117
Zn       0.04598000       1.97147000      -2.51365000      -0.06374463       1.53969161       1.95759818
Zn      -1.58841000       0.58734000      -8.41278000      -0.08240580       0.08150032       0.00659949
Zn      -1.47399000       2.51474000     -11.15892000      -0.56390608       0.58636236       0.23494329
Zn      -1.38761000       1.18820000     -13.70465000       0.65340488       0.36791408       0.21430770
Zn      -0.44192000       0.18226000     -16.36877000       2.04134054      -1.07876818      -0.85710022
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.67933037 magmom=1.9998976 free_energy=-65.67934255 stress="0.008560767153843117 -0.0019215279576747148 -0.002410149080862184 -0.0019215279576747148 0.02073231922671181 0.006685986863702462 -0.002410149080862184 0.006685986863702462 0.027931813708312977" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.52947000       2.41474000      -5.59221000       0.73070371      -0.67390519       1.04062215
O       -3.13488000       0.05025000      -1.64982000      -0.79028701       0.44867131      -0.10680837
O        0.06358000       1.55037000      -4.46949000       0.16314469      -0.14212166       0.36077682
O       -1.47562000       0.49084000      -6.04998000      -1.13135400       1.26342704      -0.88451322
O       -1.55509000       2.42398000      -7.71339000      -0.51520590      -0.52553491      -0.43042807
O       -1.45875000       0.79833000     -10.29260000       0.18573419      -0.06274251      -1.58098650
O        0.11006000       0.15690000     -12.93676000       0.92129259      -0.32531485      -0.11595598
O       -2.14235000       1.09522000     -15.61868000       1.51498059       0.66264112       0.34541576
Zn       0.01797000       1.99462000      -2.48264000       0.45100223      -0.55609692      -0.05273063
Zn      -1.64695000       0.49304000      -8.46889000       0.67472479       0.35875401       2.20858682
Zn      -1.44602000       2.61083000     -11.05440000      -0.16274587       0.20765758       0.58730595
Zn      -1.34940000       1.08908000     -13.64049000      -1.43672698       0.14820840      -1.16322085
Zn      -0.43473000       0.26996000     -16.41653000      -0.60526304      -0.80364343      -0.20806388
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.47417407 magmom=1.9997781 free_energy=-65.47422349 stress="0.003965865090970625 -0.0024839586212491564 0.002543045502664721 -0.0024839586212491564 -0.009270888382195523 -0.0021682513119342605 0.002543045502664721 -0.0021682513119342605 0.038580201088651414" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.46369000       2.44472000      -5.63898000      -0.89610815       0.62187194       0.59620778
O       -1.62686000       2.68819000      -1.76104000       0.24126588       1.33246153       0.68518517
O        0.04527000       1.55688000      -4.61313000       0.47741800       0.23860041       1.44235677
O       -1.48884000       0.63769000      -6.13790000      -0.02910139      -1.14912848      -0.35937341
O       -1.60370000       2.31696000      -7.71375000      -0.02426828       0.47880661      -1.07208032
O       -1.34583000       0.81288000     -10.35275000      -1.00001318       0.33454151       0.41227569
O       -3.10064000      -0.02405000     -12.92249000       0.41455496       0.85156883      -0.24069870
O       -2.13819000       1.33385000     -15.64517000       0.64183935      -0.91164308      -0.20642610
Zn       0.01395000       1.99096000      -2.44746000      -0.46464239      -1.25975872      -1.34330385
Zn      -1.66239000       0.43535000      -8.42790000       0.54988791       0.30514234       0.96829450
Zn      -1.42793000       2.69819000     -10.95259000       0.78579856      -0.45458735      -0.61155966
Zn      -1.37974000       1.01004000     -13.64080000      -0.74559289      -0.72373410      -0.56742178
Zn      -0.44275000       0.30522000     -16.46076000       0.04896162       0.33585856       0.29654391
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.72119654 magmom=2.0259427 free_energy=-65.72430631 stress="0.0011901406219795465 -0.013315919164609495 0.010452367530889389 -0.013315919164609495 -0.007692830484472889 0.009481396035110588 0.010452367530889389 0.009481396035110588 0.03791255558308544" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.44349000       2.49553000      -5.66650000      -1.64487212      -0.40801914       1.93674165
O       -0.08255000       0.06947000      -1.71598000       0.32329328       0.18757668      -0.13342332
O        0.11115000       1.61151000      -4.51159000      -0.09563908       0.02230067      -0.38724566
O       -1.54024000       0.62553000      -6.21683000       1.17314806       0.04200354       0.13427122
O       -1.66234000       2.30288000      -7.86006000       0.61769162       0.17529133       0.08467007
O       -1.41422000       0.89249000     -10.34157000       0.47799484      -0.03817748       0.76043825
O       -2.98101000      -0.04103000     -12.94420000      -0.70782099       0.02102856       0.03595121
O       -1.93674000       1.37886000     -15.70276000      -0.11997158      -0.98329524       0.03898171
Zn      -0.01204000       1.91171000      -2.47730000      -0.38465756      -0.09074785      -0.35117233
Zn      -1.64527000       0.39483000      -8.33157000       0.03760585       0.78131463      -0.95430368
Zn      -2.97521000      -0.01895000     -10.86555000      -0.64769959      -0.34772122      -1.31185227
Zn      -1.46365000       0.89071000     -13.68226000       0.37101939       0.30557522      -0.16240052
Zn      -0.45413000       0.35927000     -16.49036000       0.59990787       0.33287030       0.30934367
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.88182846 magmom=2.0275384 free_energy=-64.88582588 stress="-0.026761405667366983 0.003506202841229226 0.021273541030065193 0.003506202841229226 -0.015060367974881389 0.024987603813623197 0.021273541030065193 0.024987603813623197 0.006257617499744758" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.50997000       2.54149000      -5.61092000       1.12789785      -1.10421762       1.94818691
O       -0.06568000       0.27096000      -1.67184000       0.02331501      -2.90250061       0.21600786
O        0.17672000       1.69343000      -4.48155000      -0.27706478      -0.41676690      -0.41359003
O       -1.43673000       0.57518000      -6.15913000      -1.27728875       1.49291150      -0.60324841
O       -1.59281000       2.34090000      -7.92442000      -0.18965873      -0.51852368       1.08464165
O       -1.43374000       1.00567000     -10.14559000       0.69351868      -0.38396332      -1.00804673
O       -3.02540000      -0.04938000     -12.95023000      -1.27041016      -0.65144848       0.55301546
O       -1.77282000       1.23558000     -15.73781000      -2.32664986       1.13619065       1.22419467
Zn      -0.07917000       1.81355000      -2.54995000       0.08810221       2.77498453      -0.48780734
Zn      -1.61416000       0.39194000      -8.26477000       0.63116856       1.22505064      -0.85079469
Zn      -2.93154000       0.05234000     -10.85894000      -0.86714473      -0.14286230      -0.94105095
Zn      -1.54953000       0.74589000     -13.75426000       1.06565077       1.02390965      -0.13687499
Zn      -0.41003000       0.44037000     -16.51774000       2.57856392      -1.53276404      -0.58463341
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.30736402 magmom=1.9993363 free_energy=-65.3076541 stress="0.026784296171150322 -0.0003192765038255138 -0.0009082012252016504 -0.0003192765038255138 0.008594073069874619 0.009885486034674262 -0.0009082012252016504 0.009885486034674262 0.02522401092073157" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.55046000       2.54229000      -5.47898000       1.40538209       1.05745981      -0.87609726
O        1.55630000       2.76001000      -1.71189000      -0.45734755       0.25376308      -0.81862517
O        0.18051000       1.69422000      -4.54059000      -0.99444383      -0.43240859       1.60076223
O       -1.47652000       0.75237000      -6.03166000      -0.50175679      -1.59995299      -0.14874520
O       -1.51190000       2.31773000      -7.62647000      -0.29410718       1.19205462      -0.28016302
O       -1.28982000       1.06337000     -10.10298000      -0.35824666      -0.39618256      -0.70348731
O        1.46661000       2.59223000     -12.88646000       0.76119178      -0.05866148      -0.47319598
O       -1.97853000       1.24610000     -15.63141000       0.90585635       0.23710977      -1.01447542
Zn      -0.15632000       1.82159000      -2.64107000       0.42481231       0.02487425       1.15451316
Zn      -1.54750000       0.45468000      -8.24994000       0.34845560       0.15295610       0.02955942
Zn      -2.92995000       0.13065000     -10.90993000      -0.02649683      -0.11343417      -0.44100926
Zn      -1.60102000       0.62425000     -13.83572000      -0.53803136       0.40171260       1.51099775
Zn      -0.23870000       0.46887000     -16.55454000      -0.67526796      -0.71929043       0.45996605
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.96435309 magmom=2.0006101 free_energy=-64.96435318 stress="-0.0003963027994272927 -0.00024030845601014528 -0.0012958023372999653 -0.00024030845601014528 0.021632521383749808 -0.003944450828925739 -0.0012958023372999653 -0.003944450828925739 0.01929541356343327" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.52582000       2.57148000      -5.43992000      -0.84298455      -0.52184598       0.61739713
O        1.47546000       2.55419000      -1.83587000      -0.62222233       1.25070710       1.07028946
O        0.06110000       1.62660000      -4.43186000       0.13556437      -0.08131625      -0.98590574
O       -1.57804000       0.69176000      -5.87970000       1.05806110       0.18655195      -0.62721241
O       -1.50542000       2.47714000      -7.38785000       0.06059485       0.00277665      -2.24671805
O       -1.25233000       1.04241000     -10.18618000      -0.86157277       0.01678635       0.37530175
O        1.34334000       2.45323000     -12.90301000       0.99218848       0.04468852      -0.31588503
O       -1.98019000       1.31920000     -15.67883000       1.31487852       0.10825107      -0.07212603
Zn      -0.19500000       1.83660000      -2.65302000       0.36078362      -0.47112342       2.00391337
Zn      -1.47789000       0.51978000      -8.24299000      -0.09551713       0.58742590       0.66070714
Zn      -2.92929000       0.18277000     -10.97445000       0.37517829      -0.56799710      -0.48571100
Zn      -1.66313000       0.55342000     -13.83707000      -0.70677637       0.60058311       0.68227240
Zn      -0.13411000       0.44825000     -16.57056000      -1.16817609      -1.15548789      -0.67632296
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.42147518 magmom=1.9988405 free_energy=-65.42148615 stress="-0.0010754121846689227 -0.0009069288249097387 -0.01744926912991689 -0.0009069288249097387 0.023899437485787586 -0.0032667555449577062 -0.01744926912991689 -0.0032667555449577062 0.03721956350244603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.53596000       2.56996000      -5.42241000       0.15788567      -1.27984481      -0.18255234
O        1.31571000       2.65456000      -1.76668000       0.81593707       0.77530557      -0.29257884
O       -0.01849000       1.56201000      -4.46830000       0.72493619       0.59223871       1.32131854
O       -1.51582000       0.63095000      -5.83088000      -0.77783164       1.04516419      -1.58231556
O       -1.48058000       2.62319000      -7.51884000       0.42354015      -0.98207037      -0.06452619
O       -1.38315000       1.01864000     -10.19281000       0.29751444       0.06711989      -0.42147713
O       -1.76262000       2.36419000     -12.98742000       0.22590789       0.79634766      -0.04232419
O       -1.71471000       1.36608000     -15.75868000      -0.07200529      -1.26493165      -0.04161672
Zn      -0.21369000       1.82284000      -2.56375000      -0.64992066      -0.48105074       0.52840359
Zn      -1.42840000       0.60589000      -8.21727000      -0.57435115       0.93694871      -0.25475945
Zn      -2.91606000       0.19489000     -11.05150000      -0.63575316      -0.65044953       0.35613547
Zn      -1.74869000       0.52571000     -13.79924000       0.07977854       0.18817304      -0.13679810
Zn      -0.10713000       0.37738000     -16.60706000      -0.01563805       0.25704933       0.81309091
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33140543 magmom=2.001189 free_energy=-65.33271812 stress="0.0033200217510002007 -0.007981353038103201 0.008026551881389182 -0.007981353038103201 -0.021172298259515335 -0.005612481403897914 0.008026551881389182 -0.005612481403897914 0.016263879819310368" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.54924000       2.50811000      -5.43257000       0.19596859       1.12763577       0.60084148
O       -0.30640000       0.11675000      -1.73986000       0.35672653      -2.25779827      -0.11991215
O        0.03562000       1.59538000      -4.35162000       0.08857060       0.33474908      -0.46304795
O       -1.53383000       0.73016000      -6.02105000       0.02780863      -1.11190201       0.10112799
O       -1.39698000       2.57455000      -7.67088000      -0.47325267       0.35838629      -0.10038837
O       -1.46733000       1.01233000     -10.26610000       0.83921177       0.17745764      -0.35351867
O       -1.61708000       2.42118000     -13.06895000      -1.83858801      -0.52436269       0.68136147
O       -1.46074000       1.17787000     -15.83186000      -2.12743110       0.48635696       1.19720038
Zn      -0.26381000       1.79240000      -2.42237000      -0.10950727       2.14117736      -0.72887514
Zn      -1.40089000       0.75026000      -8.20989000       0.01474532      -0.31653168      -0.94219818
Zn      -2.93683000       0.16697000     -11.11867000      -0.99147534      -0.71903699       0.85263339
Zn      -1.82868000       0.51844000     -13.77122000       2.19663010       1.35552518      -1.54280787
Zn      -0.07460000       0.29953000     -16.59947000       1.82059285      -1.05165665       0.81758365
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.87549807 magmom=2.0005921 free_energy=-65.87744418 stress="0.015719775624627567 0.007248243158236454 0.002164855469098105 0.007248243158236454 -0.005978043204261441 -0.012804999089149111 0.002164855469098105 -0.012804999089149111 0.03662101917371831" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.54573000       2.48973000      -5.46104000       0.08374397       1.08869703       0.84559985
O        1.36787000       2.76427000      -1.78944000      -0.80344028       0.55347394       1.19614753
O        0.12929000       1.71755000      -4.31911000      -0.56568014      -0.41204536      -0.36453352
O       -1.56848000       0.68633000      -6.08214000       0.73179963      -0.15872002       0.58164253
O       -1.40242000       2.63212000      -7.72970000      -0.36108840       1.07602673      -0.27875291
O       -1.38787000       1.03212000     -10.41663000      -0.25584076      -0.30912833       0.48449357
O        1.42529000       2.44412000     -13.06532000       0.01258804       0.36576323      -0.49205865
O       -1.58938000       1.00606000     -15.72510000       0.00005436       0.11661463      -0.90676987
Zn      -0.32565000       1.85637000      -2.30536000       1.20829143      -0.46227661      -1.74794522
Zn      -1.37587000       0.87860000      -8.27232000      -0.15351077      -1.35763448      -1.13170530
Zn      -3.01151000       0.09813000     -11.14069000       0.06530849      -0.08411870       0.62429759
Zn      -1.81319000       0.57151000     -13.80833000       0.28360628       0.07562709       0.51919794
Zn       0.04222000       0.17232000     -16.53294000      -0.24583187      -0.49227913       0.67038646
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.42878145 magmom=2.0019481 free_energy=-65.43018536 stress="-0.02623170685702219 0.011919277632739754 -0.021103475996995403 0.011919277632739754 0.0007182294605106749 -0.005389808363130498 -0.021103475996995403 -0.005389808363130498 0.018859963862730707" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.53233000       2.52643000      -5.47946000       0.76461598       0.62635034       1.14347301
O        1.28275000       2.64818000      -1.60389000       0.17662696       1.04886564      -0.28244490
O        0.12278000       1.76290000      -4.38460000      -0.48374059      -0.80195161       1.01256678
O       -1.48910000       0.65170000      -5.92969000      -0.46380772       0.89811395      -1.32260552
O       -3.05809000       0.07404000      -7.71680000       0.76092164      -1.11861835      -0.21691305
O       -1.36482000       0.99936000     -10.45753000      -0.90031463      -0.21098888       0.56129061
O        1.24875000       2.48721000     -13.12113000       1.55449275      -0.12310195       0.45403468
O       -1.71613000       0.93097000     -15.74842000       1.86901457       0.80647344       0.09476711
Zn      -0.32551000       1.91530000      -2.28396000       0.21988556      -1.05191126      -1.40835103
Zn      -1.36647000       0.93917000      -8.39701000      -0.89362512       0.48081408      -0.05270290
Zn      -3.07931000       0.02583000     -11.13163000       0.58806124      -0.00165500      -0.29766398
Zn      -1.77671000       0.63838000     -13.82581000      -1.09691290       0.44531191       0.40967961
Zn      -3.07776000       0.00679000     -16.44523000      -2.09521773      -0.99770231      -0.09513041
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.87026723 magmom=2.0001167 free_energy=-65.87225555 stress="0.025968550102313415 -0.0032558496561979045 -0.011144468892002947 -0.0032558496561979045 0.0003205466509326311 -0.004921855660371898 -0.011144468892002947 -0.004921855660371898 0.017216015351807584" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48723000       2.60001000      -5.45453000       0.01507818       0.78451222       1.22413279
O       -0.39980000       0.00655000      -1.49544000       0.92155005       0.34513890      -1.27478140
O        0.03301000       1.66931000      -4.30652000       0.21172956       0.23244096      -0.08346970
O       -1.46960000       0.78057000      -5.93261000      -0.25858329      -0.40577125      -1.01422808
O       -2.99504000       0.06788000      -7.71810000      -0.28770757      -0.42415167      -0.66400630
O       -1.52051000       0.91529000     -10.40441000      -0.01073520      -0.19945378      -0.95881123
O        1.38967000       2.53878000     -13.10413000       0.40074050       0.52380536       0.09005927
O       -1.51068000       0.92331000     -15.77070000      -0.18527354      -1.95644635       1.10351557
Zn      -0.30259000       1.90618000      -2.33791000      -0.52440871      -0.45509039       0.06819478
Zn      -1.39608000       1.00735000      -8.50649000       0.05883080      -0.06808791       1.90387260
Zn      -3.11129000      -0.03566000     -11.13365000      -0.12496261       0.07522413       0.07841747
Zn      -1.79236000       0.71128000     -13.81405000      -0.04542896      -0.24053348       0.06504252
Zn      -1.48285000       2.63324000     -16.38221000      -0.17082921       1.78841326      -0.53793830
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50732192 magmom=1.9994265 free_energy=-65.51024272 stress="0.006682684930612615 -0.01651195887928413 0.013898061812237376 -0.01651195887928413 -0.0034400809863571317 -0.009242636896427743 0.013898061812237376 -0.009242636896427743 0.0015225673488993654" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.43782000       2.71263000      -5.39849000      -0.91951325      -0.23497070      -0.05496406
O       -0.27588000       0.18404000      -1.64429000       0.38270857      -1.93290667       0.95417574
O       -0.01600000       1.62511000      -4.28530000       0.50111617       0.89624041      -0.60862834
O       -1.50767000       0.87233000      -6.02583000       0.48300928      -0.40159445       0.07062182
O       -2.97733000      -0.02119000      -7.78582000      -0.35578930       1.27683757      -0.58381254
O       -1.66038000       0.80769000     -10.48934000       1.27530422       0.55955535       0.53645461
O       -1.60301000       2.64842000     -13.07652000      -1.53432061      -0.74719289      -0.21708403
O       -1.34523000       0.63754000     -15.62243000      -1.61574942       0.97670314      -0.72992822
Zn      -0.30673000       1.88099000      -2.38969000       0.06780899       1.47598910       0.22594303
Zn      -1.42869000       1.06479000      -8.52932000       0.04820801      -1.46647106       0.83920255
Zn      -1.55122000       2.69254000     -11.15172000      -1.10179751      -0.46642379       0.14962357
Zn      -1.80991000       0.78085000     -13.79053000       1.50904308       0.70229485       0.76590842
Zn      -1.50064000       2.53672000     -16.32923000       1.25997178      -0.63806085      -1.34751253
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.98018085 magmom=2.024427 free_energy=-65.98726028 stress="-0.014956085164964604 0.00363224518099272 0.01231482481010623 0.00363224518099272 -1.0499666379852846e-05 -0.01350037666209341 0.01231482481010623 -0.01350037666209341 0.00875089525585468" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.02609000       0.04041000      -5.37330000      -1.24084832      -1.24037677      -0.06638156
O       -0.06433000       0.03039000      -1.65799000      -1.69314337       0.71349536       0.75980394
O        0.04238000       1.77383000      -4.40689000       0.49273678       0.80435476       1.09801384
O       -1.49911000       0.89154000      -5.99228000       0.67849542       0.65140800      -0.90300069
O       -3.06405000       0.11994000      -7.92634000      -0.11667409      -0.21991335      -0.23170487
O       -1.57346000       0.78521000     -10.50867000      -0.51707918      -0.04046010       0.39290875
O        1.54224000       2.66274000     -13.10395000      -0.33288147       0.71492584       0.19655681
O       -1.49427000       0.46911000     -15.62701000       0.19517633       0.74548167      -0.50476853
Zn      -0.30187000       1.91318000      -2.42739000       1.97114347      -1.00854731      -0.38141170
Zn      -1.45998000       1.05130000      -8.49718000      -0.02082341      -0.14006847       0.45341328
Zn      -1.64751000       2.60700000     -11.13776000       0.56385754       0.25483052       0.02516963
Zn      -1.75015000       0.88655000     -13.71780000       0.50754741      -0.86950703      -0.13879609
Zn      -1.46263000       2.41223000     -16.34253000      -0.48750711      -0.36562313      -0.69980280
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.5652001 magmom=2.1029944 free_energy=-65.57442506 stress="-0.02873791146509782 0.0192192681132899 -0.003817586382546221 0.0192192681132899 -0.0033376244857011464 0.012557725127679007 -0.003817586382546221 0.012557725127679007 0.007910756913723654" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.05678000       0.12293000      -5.41054000       0.37650731      -0.22752240       1.06290608
O        1.46870000       2.70320000      -1.58592000      -0.26231639       0.40026679      -1.11811787
O        0.18655000       2.05839000      -4.40783000      -0.38924902      -0.71919498       0.62250503
O       -1.43452000       0.99697000      -5.98069000      -0.31260672       0.95731224      -1.58968432
O        0.07256000       0.24105000      -8.04561000       0.77601586      -1.48621490       0.59743583
O       -1.55808000       0.77268000     -10.44406000      -0.95591588      -0.27941624      -0.20084433
O       -0.22973000      -0.01528000     -13.07655000       1.76106316      -0.27028976       0.64607771
O       -1.62573000       0.48839000     -15.73451000       0.92258261       0.03872262       1.17089261
Zn      -0.20647000       1.91872000      -2.47140000       0.57534807      -0.38052804       0.73445030
Zn      -1.50673000       1.02522000      -8.44743000      -0.68748979       1.12518772      -0.00553122
Zn       1.48454000       2.53007000     -11.11550000       0.86478328       0.63210907       0.10669700
Zn      -1.65382000       0.96702000     -13.64436000      -1.55346030      -0.24526262      -1.57792866
Zn      -1.44416000       2.24748000     -16.39803000      -1.11526218       0.45483051      -0.44885816
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.74190279 magmom=2.0115612 free_energy=-65.74919029 stress="0.01157421428402858 -0.010751453582813384 -0.0025621005366751135 -0.010751453582813384 -0.008975772860060448 0.006136917011740233 -0.0025621005366751135 0.006136917011740233 0.006878830028425291" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14291000       0.20354000      -5.42188000       0.83809586       1.39255656       0.57604278
O        1.34759000       2.73166000      -1.69037000       2.06468500       0.82848176       0.62786972
O        0.25131000       2.20507000      -4.36660000      -0.92974046      -0.58478262      -0.41115947
O       -1.41571000       1.22817000      -6.11239000      -0.31479374      -1.29271436      -0.16941109
O       -3.11617000       0.05147000      -7.97584000      -0.50187232       1.13151849       0.11608984
O       -1.74147000       0.69613000     -10.41149000       0.09061136      -0.24224746       0.16268061
O       -0.05965000       0.08682000     -12.96052000       0.28856188      -0.18070505      -0.46287978
O       -1.55948000       0.47809000     -15.61655000      -0.05580072      -1.00901597      -0.08964972
Zn      -0.08580000       1.88919000      -2.47168000      -1.52203954      -0.90899661       0.10309271
Zn      -1.57170000       1.05279000      -8.41168000       0.45679112      -1.07056360      -0.19134137
Zn       1.45199000       2.48674000     -11.08947000       0.10338837       0.62850683       0.50671838
Zn      -1.63281000       1.01503000     -13.65363000      -0.27029907      -0.29947025      -0.65977708
Zn      -1.48583000       2.12801000     -16.47425000      -0.24758774       1.60743229      -0.10827555
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.62667375 magmom=1.9998541 free_energy=-65.63073504 stress="0.016280233865212573 -0.011265571564131015 0.00735207110569267 -0.011265571564131015 0.02336725327530132 0.007856394729886201 0.00735207110569267 0.007856394729886201 0.033677290873872674" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16192000       0.32684000      -5.45269000      -0.13061906       0.18569898      -0.01142752
O       -0.00506000       0.09230000      -1.73128000       0.04143533      -1.34697479       0.69212642
O        0.15519000       2.24049000      -4.43976000      -0.14209028      -0.37297411       0.66772330
O       -1.44604000       1.27090000      -6.10145000      -0.16250180      -0.64666183       0.19807817
O        0.02052000       0.09549000      -7.77588000      -0.09758899       0.57334903      -0.50878902
O       -1.88294000       0.59334000     -10.34456000       1.28303660       0.77738485       0.33000470
O       -3.02351000       0.08450000     -12.92891000      -1.55589761      -0.76021033      -0.11707506
O       -1.49518000       0.25598000     -15.56211000      -0.19357505       0.43738308      -1.42312442
Zn      -0.02846000       1.82577000      -2.45160000       0.16902621       1.16939553      -0.81034797
Zn      -1.61232000       1.03430000      -8.39914000       0.17166785      -0.29241206       0.32238971
Zn       1.42190000       2.47509000     -11.03959000      -0.78959110      -0.18287081      -0.15354297
Zn      -1.63162000       1.05734000     -13.70141000       1.27725195       0.10944961      -0.31384350
Zn      -1.54213000       2.09484000     -16.54088000       0.12944594       0.34944285       1.12782815
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.89421394 magmom=1.9999346 free_energy=-64.89424477 stress="-0.02950621646594433 0.009310612554408335 0.01898948143732644 0.009310612554408335 0.02378852895192615 -0.0015209806199663655 0.01898948143732644 -0.0015209806199663655 0.02538869543589336" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16582000       0.45268000      -5.52908000      -1.88913710      -2.45660309       1.82617841
O       -2.90797000       0.02735000      -1.66730000      -1.44244541       0.21215868      -0.04594540
O        0.01157000       2.19179000      -4.43832000       0.58291611      -0.02317032       0.49935225
O       -1.50218000       1.21782000      -5.92905000       0.66428419       2.08950633      -1.46964285
O       -0.05903000       0.32309000      -7.55143000       0.87441831      -0.71699932      -0.86692338
O       -1.79134000       0.62599000     -10.24126000      -0.20240634       0.09089421      -0.91204210
O       -3.05805000      -0.02395000     -12.95293000      -0.46221260       0.98553621       0.21087997
O       -1.49492000       0.12287000     -15.78587000      -0.87599587       1.36080078       1.08080227
Zn       0.03405000       1.80091000      -2.46532000       1.21672465      -0.27000403      -0.67600454
Zn      -1.64767000       0.98823000      -8.37516000      -0.14415218       0.72574963       1.44513113
Zn       1.35690000       2.46074000     -10.98837000       0.50046136       0.32481657      -0.50486222
Zn      -1.56997000       1.09118000     -13.76953000       0.27327847      -1.86764533      -0.71039796
Zn      -1.59131000       2.08062000     -16.55196000       0.90426640      -0.45504033       0.12347442
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.01217687 magmom=2.0001121 free_energy=-65.01217688 stress="-0.011664266478104385 0.0067724450033368015 0.008463195670168651 0.0067724450033368015 0.012326258168802262 0.004033886330692363 0.008463195670168651 0.004033886330692363 0.01587197238423216" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07976000       0.47627000      -5.52172000      -0.39202898       0.44225278       2.20625903
O       -1.27701000       2.73559000      -1.64642000      -0.97369210       0.10810648      -0.96319000
O       -0.03048000       2.12424000      -4.37024000       0.55908957       0.88587776      -0.41488139
O       -1.53504000       1.44756000      -5.93710000      -0.38259697      -1.75231376      -0.86428832
O       -0.00322000       0.41461000      -7.45479000      -0.93024933      -0.71949376      -1.40079762
O       -1.71390000       0.70901000     -10.24824000      -0.76923003      -0.12932995       0.64537334
O       -0.02942000       0.02391000     -12.94884000       0.30733939      -0.20667278      -0.43903100
O       -1.64721000       0.27720000     -15.83040000       0.52592323       0.03913357       1.21808308
Zn       0.17172000       1.77157000      -2.51049000       0.65309865      -0.18072395       0.95194036
Zn      -1.68627000       0.97772000      -8.28471000       1.17979268       0.77453286      -0.09588568
Zn       1.31027000       2.46226000     -10.97087000       0.95036589       0.58134999      -1.24431700
Zn      -1.47718000       1.03408000     -13.88154000      -0.48046825      -0.56408106       0.58468366
Zn      -1.60651000       2.04693000     -16.54443000      -0.24734374       0.72136182      -0.18394847
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.80388624 magmom=2.0001264 free_energy=-64.80420979 stress="-0.01934591070522754 0.002690385126109063 -0.022800485636695667 0.002690385126109063 0.007074675752252745 0.01297950673479207 -0.022800485636695667 0.01297950673479207 -0.00262693461217681" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05722000       0.50451000      -5.40793000       0.33561416      -0.74849304      -0.53606710
O       -1.47533000       2.68324000      -1.76435000       1.29903356       0.44935813       1.07458188
O        0.03425000       2.21302000      -4.38024000      -0.33389112       0.73973813       0.39294769
O       -1.63668000       1.42948000      -6.05034000      -0.15139272      -0.85711838       0.81350471
O       -0.09209000       0.34539000      -7.54859000       0.61755003      -0.71818772      -0.11968659
O       -1.78908000       0.77006000     -10.15480000      -0.19206212      -0.34582091      -0.41654774
O       -0.15012000       0.03396000     -12.99304000       1.57247238      -1.34032005       0.38708980
O       -1.76779000       0.44874000     -15.66692000      -0.24295810      -1.68895654      -2.40618630
Zn       0.37161000       1.72190000      -2.52306000      -1.55420638      -0.51360927      -0.34932350
Zn      -1.67602000       1.01467000      -8.18446000      -0.51031206       1.12646746      -0.97157365
Zn       1.30766000       2.50082000     -11.02035000       0.30947153       0.72359311      -0.19799266
Zn      -1.39962000       0.93207000     -13.97290000      -1.19772657       1.30956525       3.07957583
Zn      -1.62593000       2.05373000     -16.55184000       0.04840740       1.86378383      -0.75032237
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.07089664 magmom=2.0010718 free_energy=-65.07434044 stress="-0.0025725554389515156 -0.009606796073652956 -0.010980915350777788 -0.009606796073652956 0.006556741968157423 0.019951252043634866 -0.010980915350777788 0.019951252043634866 0.022055247680718128" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17216000       0.50262000      -5.36392000       1.18139269      -1.93488790       0.28542819
O       -1.41976000       2.72967000      -1.72633000       0.63752210      -0.20363263      -0.33988445
O        0.03039000       2.39226000      -4.34591000      -0.88702982      -1.00865311       1.04244416
O       -1.74764000       1.22076000      -5.93360000      -0.09117356       1.98256840      -0.73744634
O       -0.10947000       0.14114000      -7.55955000       0.18211096       0.98935576      -0.16660603
O       -1.90707000       0.76108000     -10.14455000       0.31341746       0.04875514      -0.96594090
O       -1.59077000       2.58231000     -13.04702000       0.12869439       0.52609825      -0.37520153
O       -1.85360000       0.33013000     -15.84387000       1.91119099       0.97955630       1.04356778
Zn       0.48729000       1.64716000      -2.54070000      -1.02064302       0.20012844      -0.18386915
Zn      -1.67778000       1.10588000      -8.15174000      -0.43549435      -0.52487773      -0.87104769
Zn       1.32412000       2.57432000     -11.07570000       0.00463838       0.18600875       0.98243679
Zn      -1.38740000       0.88379000     -13.92417000      -0.58251230      -0.87407271       0.36794848
Zn      -1.65103000       2.14758000     -16.59030000      -1.34211392      -0.36634698      -0.08182931
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.41848572 magmom=2.0299976 free_energy=-65.42177644 stress="0.02273498404427598 -0.004646259796428057 -0.0022006052355448276 -0.004646259796428057 -0.004174567630789885 0.016015136737663725 -0.0022006052355448276 0.016015136737663725 0.036446572239234615" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23116000       0.40095000      -5.35651000       0.65785982      -0.39368042       0.98145430
O       -1.20146000       2.72861000      -1.73171000      -0.27310395      -1.43177452      -0.25462814
O       -0.09371000       2.38609000      -4.20026000      -0.13673573      -0.27292101      -0.99853491
O       -1.81507000       1.31340000      -5.81652000      -0.01054466       0.05743742      -0.78296571
O       -0.06146000       0.18059000      -7.49512000      -0.56730531       1.06307706      -0.49001263
O       -1.93449000       0.76705000     -10.30379000       0.77631187       0.44081430       0.45121135
O       -1.38873000       2.50720000     -13.10622000      -0.44140885       1.21143922       0.45154585
O       -1.62299000       0.35591000     -15.88341000      -0.34494040       0.69153871       0.91738396
Zn       0.52613000       1.58973000      -2.56346000      -0.15330144       1.07276543       0.71122168
Zn      -1.70701000       1.15970000      -8.18550000       0.03738877      -0.67486325      -0.65524970
Zn       1.33764000       2.64716000     -11.08204000      -0.24958403      -0.21301332      -0.05786457
Zn      -1.40914000       0.79605000     -13.85187000      -0.07070703      -1.41320157      -0.55576381
Zn      -1.72296000       2.22699000     -16.62125000       0.77607092      -0.13761806       0.28220235
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.34093312 magmom=2.0083709 free_energy=-65.34227011 stress="0.007287933588850931 -0.0022953418694648827 0.0036722380189658553 -0.0022953418694648827 0.015519512491440795 -0.00020585082550718994 0.0036722380189658553 -0.00020585082550718994 0.033224023543309965" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25300000       0.30246000      -5.31981000       0.26933790       2.37369404       0.13546937
O       -1.06944000       2.47499000      -1.80568000      -0.74256715       0.39226123       0.73422934
O       -0.21235000       2.31226000      -4.26613000       0.40765734      -0.29717214      -0.09872413
O       -1.84775000       1.35613000      -5.82164000       0.12152249      -2.02709435      -0.83173707
O       -0.13651000       0.43361000      -7.46724000      -0.19321125      -0.99379787      -0.78281676
O       -1.81543000       0.85735000     -10.35188000      -0.12490808       0.19132830       0.84160045
O       -1.33733000       2.65082000     -13.06050000      -1.29148031      -0.84349907       0.42193682
O       -1.43992000       0.55560000     -15.73582000      -0.71837680       0.16778095      -0.93206690
Zn       0.54946000       1.58513000      -2.54528000      -0.12134892      -0.35586368       0.18813022
Zn      -1.73191000       1.17178000      -8.26026000      -0.19867448       0.50506071      -0.06782775
Zn       1.34292000       2.70410000     -11.08819000       0.53009444       0.07997861      -0.25428346
Zn      -1.42549000       0.65542000     -13.81216000       0.88923445       0.76981447       0.33507147
Zn      -1.75638000       2.28317000     -16.63430000       1.17272037       0.03750880       0.31101841
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.12631495 magmom=1.999561 free_energy=-65.12757989 stress="-0.010588849655994183 0.008351683919416233 -0.009408137532598304 0.008351683919416233 0.025940244309174732 0.016703195772908887 -0.009408137532598304 0.016703195772908887 0.006074589907035548" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25874000       0.30897000      -5.32034000       0.21944031      -0.66961610      -1.13210519
O       -1.09616000       2.29437000      -1.73658000      -0.03465750       1.05724599       0.12182192
O       -0.22678000       2.17928000      -4.37320000       0.47791802      -0.66979516       1.54658819
O       -1.85013000       1.13096000      -5.89647000      -0.08869411       1.45614854      -0.41269480
O       -0.23039000       0.46793000      -7.54546000       0.75928103      -1.25278533      -0.57167707
O       -1.70936000       0.98696000     -10.23612000      -0.37216445      -0.31380909      -1.10277027
O       -1.50856000       2.63318000     -12.96279000       1.06469033      -0.79162165      -0.73814480
O       -1.43012000       0.75821000     -15.73915000      -0.02361219      -1.66117727       0.34410163
Zn       0.56155000       1.56577000      -2.51598000      -0.73107525      -0.62803742      -0.65074173
Zn      -1.77156000       1.21020000      -8.34023000      -0.75457313       0.65862609       1.32598173
Zn      -0.22908000      -0.02539000     -11.07930000       0.37519719       0.37783812       1.37395500
Zn      -1.40945000       0.55385000     -13.76114000      -1.11526795       0.91590431      -0.54286864
Zn      -1.72263000       2.34773000     -16.62855000       0.22351769       1.52107896       0.43855403
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6472331 magmom=2.0210966 free_energy=-65.65058436 stress="0.009200101685817834 0.010397980437189015 0.00031807914519782265 0.010397980437189015 0.011536981996885224 -0.006604731196686802 0.00031807914519782265 -0.006604731196686802 0.01874825149739197" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25769000       0.29265000      -5.44441000       0.57672176      -1.74385578       0.89300013
O       -1.15830000       2.33613000      -1.65398000       0.23523915       0.58884263      -0.97507765
O       -0.12212000       1.88098000      -4.24904000      -0.36115666       0.65608398      -1.13298247
O       -1.83828000       1.10014000      -5.96576000      -0.08408047       0.99929181      -0.68264467
O       -0.19717000       0.21408000      -7.68885000      -0.20599689       1.63175245       0.21380518
O       -1.67799000       1.06662000     -10.30454000      -0.48203643      -0.60677831      -0.16844144
O       -1.51940000       2.40028000     -12.98109000       0.47381804       0.01403993       0.01308353
O       -1.46427000       0.66522000     -15.73556000      -0.78753703       0.05017333       0.29030020
Zn       0.53616000       1.50001000      -2.50418000      -0.27176201      -0.48532008       0.95039981
Zn      -1.86084000       1.29151000      -8.37370000       0.19446382      -1.73067656       0.36131249
Zn      -0.16331000       0.07250000     -11.02552000       0.53084695       0.35546828      -0.19864572
Zn      -1.44594000       0.48757000     -13.72326000      -0.61355058       0.42306328      -0.56118310
Zn      -1.65616000       2.50622000     -16.57809000       0.79503036      -0.15208496       0.99707372
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.25279158 magmom=2.0379346 free_energy=-65.25576979 stress="-0.010675244363171276 -0.017123911779651904 -0.003878746924229242 -0.017123911779651904 -0.012328041692518 -0.013761560182416565 -0.003878746924229242 -0.013761560182416565 0.023555049368499687" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23904000       0.21795000      -5.56486000       0.71151164       0.25108933       0.78672176
O       -1.18149000       2.48681000      -1.73319000      -0.26409983      -1.09685770       0.55350689
O       -0.07124000       1.64500000      -4.32290000      -0.37007434       1.02877973      -0.10408230
O       -1.79443000       1.18956000      -6.06125000      -0.16237468      -1.11599649      -0.58158450
O       -0.18278000       0.26785000      -7.71538000      -0.80754780       0.39320489      -0.17077274
O       -1.73200000       1.04378000     -10.42352000       0.51114391       0.46779035       1.09505645
O       -1.41529000       2.19360000     -13.00823000      -0.53406012       1.44086103       0.45383785
O       -1.61031000       0.53801000     -15.68286000       1.10203500       0.84329895      -0.19881725
Zn       0.49343000       1.41596000      -2.45393000      -0.11496796       1.25222241      -0.11699751
Zn      -1.94404000       1.28861000      -8.39189000       0.88285279      -0.75466707      -0.21372575
Zn      -0.07558000       0.18154000     -10.97527000      -0.53773219      -0.89058033      -1.24737663
Zn      -1.51709000       0.43917000     -13.71477000       0.32698235      -0.75708911       0.05858307
Zn      -3.16071000      -0.12366000     -16.46368000      -0.74366877      -1.06205600      -0.31434934
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.28376383 magmom=1.9999227 free_energy=-65.28384331 stress="-0.03140707801919762 -0.007081745153873613 0.009240155016497418 -0.007081745153873613 0.021603355579310174 -0.015031348302894923 0.009240155016497418 -0.015031348302894923 0.015109067256213455" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.19819000       0.18521000      -5.63834000       0.49941949      -0.75476536       0.64615619
O       -1.24499000       2.40891000      -1.70373000       0.08405810      -0.22107736       0.51618973
O       -0.10656000       1.59550000      -4.43511000       0.02054029       1.44995069       1.14865693
O       -1.75855000       1.09505000      -6.15349000      -1.00897763       0.11896077       0.04433293
O       -0.31551000       0.42926000      -7.70520000       0.42998951      -1.60039079      -0.94307160
O       -1.68230000       1.10246000     -10.31714000       0.34854256       0.19195287      -0.54612933
O       -1.45325000       2.28375000     -12.94693000      -0.83415495       0.16538161      -0.03338224
O       -1.51937000       0.62026000     -15.66686000       0.29310692       0.83040855       0.08325391
Zn       0.45292000       1.40604000      -2.41595000      -0.52777554       0.59109576      -0.83050252
Zn      -1.96412000       1.23447000      -8.42268000       0.42326667       0.58673730       0.86380133
Zn      -0.03029000       0.22539000     -10.99868000      -0.37054627      -0.57705425      -0.46393024
Zn      -1.55421000       0.37549000     -13.70409000       0.72975275       0.42304667       0.27234722
Zn      -3.11802000      -0.05549000     -16.40433000      -0.08722189      -1.20424645      -0.75772232
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.06961621 magmom=1.9993304 free_energy=-65.06993668 stress="-0.010997926034647578 0.01209954220298157 0.01039549783324363 0.01209954220298157 0.017735373442043924 -0.002259013914578774 0.01039549783324363 -0.002259013914578774 0.022469879826372764" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14349000       0.15078000      -5.69017000      -1.98831005      -1.38265279       2.67850102
O       -1.29876000       2.23438000      -1.54640000       0.24886649       0.86887042      -0.75308486
O       -0.15717000       1.73226000      -4.38563000       0.04074236       0.24213972      -0.62970853
O       -1.85188000       0.97788000      -6.15171000       1.55928986       1.37894764      -0.67220499
O       -0.37013000       0.23302000      -7.81245000       0.93304265       0.14248603       0.34003616
O       -1.52245000       1.22327000     -10.29474000      -0.53247431      -0.56281558      -0.67024724
O       -1.65868000       2.45493000     -12.89480000       1.37284040      -0.73224739      -0.71773571
O       -1.31844000       0.92967000     -15.60508000      -0.80313589      -0.61638965       0.37882955
Zn       0.37438000       1.43973000      -2.42120000      -0.50613627      -0.26824070      -0.17395890
Zn      -1.95831000       1.20570000      -8.41965000      -0.12837863      -0.61082905       0.02475557
Zn      -0.00597000       0.23793000     -11.05584000       0.36476186       0.43828824       0.97509133
Zn      -1.56213000       0.32535000     -13.68075000      -1.19948175       1.15385364      -0.72496288
Zn      -3.08147000      -0.05665000     -16.38521000       0.63837328      -0.05141054      -0.05531052
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95150718 magmom=2.006389 free_energy=-64.95260296 stress="0.015492384271345873 0.002906578263309533 0.008298996201405564 0.002906578263309533 -0.003581236048204855 0.00445529753544635 0.008298996201405564 0.00445529753544635 0.031423386720536024" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16730000       0.05540000      -5.61201000      -0.25520099       0.92245139       1.35637679
O       -1.32067000       2.22363000      -1.53205000      -0.57467148       0.92377228      -0.93784062
O       -0.21134000       1.93592000      -4.46331000       0.53622299      -0.25439043       0.21214591
O       -1.78482000       1.03586000      -6.14803000       0.00045861      -0.99348134      -0.29248534
O       -0.18194000       0.05792000      -7.78385000      -0.52870040       1.29015677       0.19545276
O       -1.45200000       1.24191000     -10.42011000      -1.01728129      -0.50385669       0.97525462
O       -1.62838000       2.50991000     -12.97461000      -0.01169813      -0.63001618       0.27285058
O       -1.24646000       1.14591000     -15.43404000       0.18559957      -2.06421906      -0.93362976
Zn       0.23816000       1.46983000      -2.44117000       0.22454293      -0.17206402      -0.12395155
Zn      -1.95720000       1.11469000      -8.42340000       0.92440302      -1.18226549      -0.73232628
Zn       0.04939000       0.27578000     -11.08424000       0.62122275       0.14507883       0.06497113
Zn      -1.63675000       0.33284000     -13.69077000       0.11735804       1.07687270      -0.38497198
Zn      -2.99424000      -0.05471000     -16.36927000      -0.22225562       1.44196126       0.32815374
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95565316 magmom=1.9614782 free_energy=-64.95716671 stress="-0.0008528478335414244 -0.004375474619333555 0.011068453159143739 -0.004375474619333555 0.015601842122448728 0.008128207084620568 0.011068453159143739 0.008128207084620568 0.029334902513139957" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.22098000      -0.02018000      -5.47225000       1.75273115       1.65728299      -1.19969545
O       -1.46546000       2.43362000      -1.72859000      -0.34042585       0.51193796       0.74199821
O       -0.16746000       2.10105000      -4.52024000       0.11584610      -1.36415491       2.09294820
O       -1.67369000       1.00415000      -6.10207000      -1.56209331      -0.31631504       0.20873228
O       -0.10716000       0.11398000      -7.60049000      -1.20467278      -0.92114106      -1.37156135
O       -1.56157000       1.15275000     -10.37599000       0.78445941       0.38216853       0.01595563
O       -1.58224000       2.38822000     -12.99179000      -1.20934926      -0.26095602       0.33774460
O       -1.14036000       0.97313000     -15.47664000      -0.57306830       0.00808056      -1.55864282
Zn       0.08761000       1.49419000      -2.46783000       0.25045997       0.22921604      -0.50348324
Zn      -1.89620000       0.94343000      -8.47431000       1.27410190       0.69304354       1.44559551
Zn       0.14075000       0.32714000     -11.10813000      -1.00374174      -0.85566338      -0.08331413
Zn      -1.72282000       0.41310000     -13.73008000       1.31136866       0.73109704       0.40429058
Zn      -2.89855000       0.01680000     -16.32990000       0.40438404      -0.49459624      -0.53056802
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.30609308 magmom=1.9873371 free_energy=-65.30735043 stress="0.01876338105282631 0.011123264045072252 -0.0032795347415420237 0.011123264045072252 0.008141220500076343 0.0068190907595098525 -0.0032795347415420237 0.0068190907595098525 0.031416067496270884" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.19534000      -0.01262000      -5.44839000       0.32879026       0.87221326       0.52685602
O       -1.63216000       2.63527000      -1.76594000       0.32189040      -1.22720940       1.36089322
O       -0.09451000       2.03709000      -4.32868000      -0.43616904      -0.44519272      -0.86884823
O       -1.79457000       0.95266000      -5.94405000      -0.02980643      -0.30372939      -0.74157069
O       -0.24530000       0.00895000      -7.61393000       0.69048044      -0.35974607      -0.86347323
O       -1.53142000       1.14323000     -10.32499000       0.57896449       0.24787235      -0.97243240
O       -1.76090000       2.27471000     -12.94264000       0.18394774       1.11287428      -0.75586612
O       -1.19450000       0.84171000     -15.73848000      -0.50712934       0.76344293       1.27514545
Zn      -0.01392000       1.53280000      -2.49812000      -0.03800644       1.35212138       0.50658904
Zn      -1.79739000       0.84333000      -8.45560000      -0.40491490       0.38228824       1.97828778
Zn       0.16997000       0.32921000     -11.13192000      -0.79428635      -0.72092253       0.63876655
Zn      -1.72763000       0.50221000     -13.74861000       0.32028805      -0.43325772       0.01239297
Zn      -2.80472000       0.04797000     -16.32852000      -0.21404888      -1.24075461      -2.09674034
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.75298245 magmom=2.0043037 free_energy=-65.75502409 stress="0.01489879380344532 0.013712076686670375 -0.004821569538408783 0.013712076686670375 0.012618338594845636 0.0035507630345769183 -0.004821569538408783 0.0035507630345769183 0.0325320774959095" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16773000       0.02391000      -5.43756000      -0.98201686      -0.56971810       1.05659098
O       -1.69316000       2.59217000      -1.60420000       0.16555464       0.05299962      -0.91960509
O       -0.11869000       1.90150000      -4.37367000      -0.49220492      -0.15661072      -0.15522994
O       -1.85494000       0.91873000      -5.90027000       1.49734058       0.34410918      -1.59073055
O        1.38705000       2.65022000      -7.72585000       0.73495289       0.39972022       0.07275431
O       -1.41019000       1.18243000     -10.40389000      -0.67943248      -0.21058763       0.46206577
O        1.36682000       2.40175000     -13.02372000       1.00496388       0.35666938       0.04657343
O       -1.28826000       0.90875000     -15.70915000       0.69274593       0.19105199       0.46577563
Zn      -0.08711000       1.61455000      -2.47759000      -0.02370118       0.13493279       1.30877260
Zn      -1.74394000       0.79451000      -8.36747000      -0.45865722       0.20022969      -0.23113726
Zn       0.15312000       0.29278000     -11.12849000       0.25024568      -0.44975098       0.16367185
Zn      -1.71554000       0.55124000     -13.76029000      -0.49330937       0.26207082      -0.21474063
Zn      -2.75925000       0.00624000     -16.42147000      -1.21648158      -0.55511626      -0.46476111
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.67168875 magmom=2.0094699 free_energy=-65.67465556 stress="0.007767505990560514 0.006999465411248123 -0.0054726721487309326 0.006999465411248123 0.005378640487025138 0.0031959403872984043 -0.0054726721487309326 0.0031959403872984043 0.024057508747539955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17876000       0.02873000      -5.41100000       0.88532198      -1.29330796      -0.69930864
O       -1.72434000       2.53946000      -1.64674000      -0.37356464       0.70836431      -0.77478620
O       -0.22654000       1.76161000      -4.47764000       0.62211576       0.90277633       2.02427892
O       -1.70167000       0.90987000      -6.06614000      -1.21345871      -0.12816483       0.00764583
O       -1.64115000       2.59956000      -7.74137000      -0.81685002       0.57913559      -0.43683862
O       -1.42924000       1.16742000     -10.39809000      -0.49479670      -0.50746123       0.48295609
O        1.50595000       2.61667000     -13.10708000       0.08105952      -0.42944813       0.64902463
O       -1.22951000       1.01402000     -15.61759000      -0.11695628      -0.95240745      -1.61986264
Zn      -0.15862000       1.70573000      -2.38655000       0.40672565      -0.54071475      -0.91543142
Zn      -1.71343000       0.75694000      -8.29416000       0.81332491       0.20059031      -0.69132895
Zn       0.14517000       0.23073000     -11.11148000       0.10487457      -0.09852288       0.10500715
Zn      -1.72862000       0.61235000     -13.77765000       0.24545892       0.78727974       0.07923100
Zn      -2.78162000      -0.06507000     -16.53049000      -0.14325495       0.77188095       1.78941284
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.69661911 magmom=1.9996408 free_energy=-65.69747641 stress="-0.016410933494255618 -0.007887372943745804 -0.0037337105487240427 -0.007887372943745804 0.00823529883578738 0.005040011266652981 -0.0037337105487240427 0.005040011266652981 0.03732125121769846" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14887000      -0.03424000      -5.46556000       0.75187751      -0.56403007       1.25493393
O        1.38125000       2.66691000      -1.87385000       0.40029986       0.67477009       1.81035301
O       -0.23566000       1.72829000      -4.28395000       0.34440846       0.24194627      -1.72010046
O       -1.69709000       0.85620000      -6.10383000      -0.74842430       0.20193539       0.77123618
O       -1.61986000       2.67861000      -7.71948000      -0.48608141      -0.58221682      -0.10088291
O       -1.56924000       1.03625000     -10.28076000       0.59297552       0.06716549      -0.49976538
O       -3.16521000      -0.05765000     -13.04051000      -1.48956402      -0.90088018      -0.23631913
O       -1.18928000       0.90175000     -15.84464000      -0.60814659      -0.62651907       0.50863539
Zn      -0.22134000       1.78138000      -2.31759000       0.03610567      -0.61601232      -1.27392951
Zn      -1.62961000       0.72790000      -8.26549000       0.21394427       0.89179054      -0.72440908
Zn       0.14030000       0.14550000     -11.07732000      -0.66773939      -0.34314363       0.95122387
Zn      -1.71552000       0.74356000     -13.80477000       1.84705048       1.04850698      -0.61967918
Zn      -2.82319000      -0.10526000     -16.56447000      -0.18670606       0.50668735      -0.12129672
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.51920732 magmom=1.9976571 free_energy=-65.51965546 stress="-0.013099847468452087 -0.001696424498219716 -0.008784636255004327 -0.001696424498219716 -0.016162536498048493 -0.0021533994974145113 -0.008784636255004327 -0.0021533994974145113 0.0380898531396171" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51753000       2.65319000      -5.51757000      -1.54181104       0.19705924       2.22221742
O       -0.28086000       0.09620000      -1.77348000       0.37321279      -1.60801649       0.61812974
O       -0.15917000       1.75122000      -4.37090000      -0.02082421       0.03399397      -0.11009340
O       -1.79705000       0.80769000      -5.89804000       1.71944954      -0.10262652      -1.50339166
O        1.53640000       2.63878000      -7.60331000       1.08600265      -0.48251736      -0.19032889
O       -1.60634000       0.89697000     -10.24241000       0.69895606       0.38828401      -0.74702275
O       -0.07456000      -0.08549000     -13.02708000       0.35603030       0.59863698      -0.51939597
O       -1.28803000       0.67012000     -16.01289000      -0.40125410       1.28341336       1.91422525
Zn      -0.28272000       1.84662000      -2.31518000       0.10604810       1.26949062      -1.82322023
Zn      -1.53105000       0.74778000      -8.28410000      -1.26494428       0.53942511       0.42582515
Zn      -3.11703000       0.02386000     -10.99880000      -0.78598247      -0.50876329      -0.01118572
Zn      -1.60990000       0.94033000     -13.86057000      -0.02551449      -0.72292435      -0.02311758
Zn      -2.87711000      -0.12856000     -16.59526000      -0.29936884      -0.88545527      -0.25264137
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.66025851 magmom=2.0003598 free_energy=-65.6602587 stress="0.0041194885596972505 0.008506339646371153 -0.011604305429645176 0.008506339646371153 -0.014093936197074735 -0.007432262277085401 -0.011604305429645176 -0.007432262277085401 0.02304150996259501" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.69671000       2.57579000      -5.45650000       0.48502944       0.76244727       0.11223406
O       -0.27601000       0.04452000      -1.66495000      -0.41619406       0.23954651      -1.48983035
O       -0.09934000       1.76292000      -4.49466000       0.06595374      -0.54049180       2.21668485
O       -1.67037000       0.75198000      -5.90503000      -0.26993835      -0.23210152      -0.99978458
O       -1.55780000       2.53393000      -7.50423000      -0.26852688       0.97782912      -1.30497965
O       -1.52196000       0.85008000     -10.29619000      -0.53663257      -0.02430153       0.46603223
O       -0.12046000      -0.00829000     -13.08221000       0.73956166       0.47412472       0.68473175
O       -1.42875000       0.70405000     -15.82819000       0.33793999       0.45621243      -0.53834068
Zn      -0.32551000       1.94076000      -2.38756000       0.59928532      -0.48547782      -1.25629452
Zn      -1.50463000       0.78382000      -8.29297000      -0.18236488      -0.75455657       0.78933439
Zn      -1.58172000       2.69739000     -10.96289000       0.40430379       0.00927148      -1.38750417
Zn      -1.52069000       1.06825000     -13.90824000      -0.50979304      -0.65119247       0.73814040
Zn      -1.33518000       2.60438000     -16.62970000      -0.44862414      -0.23130982       1.96957627
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.93595137 magmom=1.9998077 free_energy=-65.93685654 stress="0.01571356781965096 0.00460118003489469 -0.004705069230279958 0.00460118003489469 0.009737714548730483 -0.005242823575721472 -0.004705069230279958 -0.005242823575721472 0.015977215849784544" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.67319000       2.54894000      -5.40943000       1.14828860       0.21421914       0.23234336
O       -0.32349000       0.02546000      -1.79814000       0.44944645       0.58339777       1.09720145
O       -0.03714000       1.68250000      -4.28867000       0.23117574      -0.39274367      -2.30044639
O       -1.58042000       0.69565000      -6.02439000      -0.84060726       0.30399982       0.58748092
O       -1.49550000       2.62355000      -7.60881000      -0.45410744      -0.09938118      -0.68007238
O       -1.54301000       0.80521000     -10.25081000      -0.41543641      -0.26830669       0.01922375
O        0.00193000       0.15656000     -13.00636000       0.51261177      -0.19206919      -0.18919444
O       -1.48295000       0.82695000     -15.77805000       0.03181778      -0.98394607      -0.75931687
Zn      -0.33496000       2.00159000      -2.50798000      -0.16222241      -0.49262313       1.24103087
Zn      -1.49590000       0.78123000      -8.26785000      -0.00254990      -0.16126896       0.25518384
Zn      -1.62207000       2.60007000     -10.98892000       0.41589439       0.45632132      -0.75670282
Zn      -1.47097000       1.14357000     -13.89822000      -0.44837276      -0.12824789       1.75912254
Zn      -1.41493000       2.54627000     -16.56077000      -0.46593854       1.16064872      -0.50585383
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.83633399 magmom=2.0021894 free_energy=-65.83919782 stress="-0.010743958429130512 -0.002003652299205988 0.007739920099325918 -0.002003652299205988 0.00915231428272755 -0.005182485471454459 0.007739920099325918 -0.005182485471454459 0.027576851725584738" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58266000       2.53640000      -5.40482000      -0.28886579      -0.16131686      -0.12334912
O       -0.29560000       0.13277000      -1.77513000       0.11560780      -0.04569574      -0.10790966
O        0.08172000       1.52275000      -4.45233000      -0.54916737       1.10770521       1.18525861
O       -1.61692000       0.69277000      -5.94134000       0.91689223      -0.34829326      -1.23457924
O       -1.53164000       2.70248000      -7.76887000       0.32898579      -1.06814640       0.50572189
O       -1.66504000       0.70261000     -10.21888000       0.32808310       0.04748348      -1.13000833
O       -2.96482000       0.28823000     -12.97586000      -0.75829877      -0.47854887      -0.53851615
O       -1.52568000       0.74225000     -15.88963000      -0.04260054      -0.05207079       1.46984538
Zn      -0.34595000       2.03696000      -2.58229000       0.31304541      -0.35867205       0.75821793
Zn      -1.49053000       0.76890000      -8.23409000      -0.61362476       0.66682207      -0.38686781
Zn      -1.64101000       2.51950000     -11.05827000      -0.04604863       0.32115326       0.84163570
Zn      -1.44284000       1.21426000     -13.78769000       0.45854975      -0.24119275      -0.17618238
Zn      -1.52926000       2.54909000     -16.50049000      -0.16255822       0.61077271      -1.06326682
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.51306375 magmom=2.0188083 free_energy=-65.51661334 stress="-0.010137492152325882 -0.004797914062783958 0.009373810112458733 -0.004797914062783958 -0.0020849467322348286 -0.007754189362591404 0.009373810112458733 -0.007754189362591404 0.038643220782416256" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.48118000       2.51180000      -5.45831000      -0.32018948      -0.36888060      -0.14981747
O       -0.22348000       0.25818000      -1.76888000      -0.23244299      -0.60163401      -0.39816713
O        0.12129000       1.55705000      -4.54431000      -0.11415551       0.57891976       1.84706541
O       -1.49003000       0.62952000      -5.94780000       0.08748676       0.36304093      -1.44939345
O       -1.52919000       2.56903000      -7.75603000       0.13822601       0.76800496       0.34874362
O       -1.72577000       0.59405000     -10.40695000       0.88742113       0.37789524       0.58535831
O       -2.87148000       0.31998000     -13.05134000      -1.44496543      -0.36336726       0.60276138
O       -1.61028000       0.61201000     -15.71862000      -0.44640099       1.13820934       0.20603922
Zn      -0.34607000       2.06120000      -2.60080000       0.61227023       0.02463884       0.60561741
Zn      -1.51417000       0.78264000      -8.23115000      -0.17508299      -1.13022509      -1.09120718
Zn      -1.66684000       2.44380000     -11.10075000      -0.39955791       0.21375644       0.22046426
Zn      -1.37780000       1.28676000     -13.65937000       0.88082734      -0.53296545      -1.26086197
Zn       1.54425000       2.60105000     -16.48326000       0.52656386      -0.46739309      -0.06660238
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.9613129 magmom=2.0059924 free_energy=-64.96220896 stress="0.005783446418893095 0.020661434738369143 0.010147249840583867 0.020661434738369143 -0.006622752206121818 -0.007342719396395776 0.010147249840583867 -0.007342719396395776 0.03321141458388706" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.37484000       2.45996000      -5.56456000       0.17651466       0.46085621       1.13631900
O       -0.19796000       0.26583000      -1.84006000      -0.50327122      -0.48253117       1.19197508
O        0.11869000       1.75309000      -4.35192000       0.53795351      -0.67848687      -2.27462449
O       -1.32457000       0.61157000      -6.12933000      -1.19287134       0.55047221       1.03838526
O       -1.47027000       2.52916000      -7.60066000       0.09279038       0.14975302      -1.55253262
O       -1.62620000       0.54770000     -10.49733000      -0.50341198       0.23737772       1.75213665
O        0.15177000       0.30494000     -13.00093000       0.91803865       0.15005756       1.04139858
O       -1.78940000       0.71033000     -15.49020000       0.27331973       0.51232680      -1.55389505
Zn      -0.31240000       2.09238000      -2.57354000       0.40044360       0.29986296       1.29534324
Zn      -1.55582000       0.74644000      -8.30225000       0.42663140      -0.67234360      -0.89635042
Zn      -1.71170000       2.37048000     -11.13319000       0.65187817       0.33978349      -0.02494372
Zn      -1.26070000       1.33242000     -13.58337000      -1.29816185      -0.89245858      -1.77403781
Zn       1.40152000       2.63205000     -16.46716000       0.02014630       0.02533027       0.62082629
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.99107974 magmom=1.9651133 free_energy=-64.9921218 stress="0.01728362681773068 -0.0038821399084542183 0.009584858716969739 -0.0038821399084542183 -0.006867198788923934 0.013248256493345533 0.009584858716969739 0.013248256493345533 0.010037102733386734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.27096000       2.43978000      -5.63395000      -1.75816273       2.39535167       0.99673193
O       -0.26755000       0.17571000      -1.68606000       0.26146417       0.36639334       0.24806646
O        0.20014000       1.82482000      -4.51183000       0.28020442      -0.90753007       1.23035256
O       -1.35802000       0.69678000      -6.08619000       0.73537147      -1.12389896      -0.81785760
O       -1.42032000       2.54838000      -7.66197000      -0.75392640      -0.69122557      -0.58256559
O       -1.59796000       0.55900000     -10.25942000      -0.25401245      -0.02949686      -1.98888401
O        0.13688000       0.31000000     -12.77879000       0.95483079       0.30641349      -1.70280203
O       -1.91341000       0.93146000     -15.55151000       0.41162311      -0.39610913       0.15376631
Zn      -0.25497000       2.13261000      -2.49377000       0.00425360      -0.59597052      -0.54842022
Zn      -1.57116000       0.67029000      -8.42231000       1.07905090       0.51078247       1.68836303
Zn      -1.72961000       2.31302000     -11.14934000       0.12678845      -0.23607275       2.64674925
Zn      -1.21004000       1.33008000     -13.60762000      -1.16192909      -0.34723263      -1.28022682
Zn       1.26422000       2.66465000     -16.42297000       0.07444375       0.74859550      -0.04327327
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.3127858 magmom=1.999774 free_energy=-65.31295427 stress="0.029287088446322683 0.0005370684597621611 0.007505501430919395 0.0005370684597621611 -0.005118862585764677 0.014635870830702365 0.007505501430919395 0.014635870830702365 0.02689601372318315" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.26142000       2.52190000      -5.65820000      -1.08717335       0.33758146       1.25979593
O       -0.28119000       0.16452000      -1.53705000       0.72531206       0.53335048      -1.31207380
O        0.30332000       1.72904000      -4.55007000      -0.24637091      -0.34881921       1.21377479
O       -1.29538000       0.68099000      -6.09326000       0.26115328       0.07836667      -1.08481353
O       -1.49762000       2.45025000      -7.78327000       0.29620566       0.31473281      -0.13785288
O       -1.64441000       0.55093000     -10.36489000      -0.02288790      -1.11981381      -0.07198769
O       -2.87542000       0.33365000     -12.83024000      -0.46529135      -0.12090473      -0.94240836
O       -1.94239000       1.03375000     -15.60365000       0.10819581      -0.89107144       0.46625802
Zn      -0.19993000       2.14162000      -2.42404000      -0.39315473      -0.72347028      -0.43934303
Zn      -1.53141000       0.61600000      -8.46160000       0.33944602      -0.15696941       1.05608052
Zn      -1.73282000       2.25895000     -11.06020000       0.35458912       1.50578278      -0.48059894
Zn      -1.23033000       1.30909000     -13.70442000      -0.21423084      -0.43045556       0.36570001
Zn      -0.46584000      -0.04564000     -16.35246000       0.34420712       1.02169024       0.10746895
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.93008715 magmom=2.0549479 free_energy=-64.93428042 stress="-0.01218978930066285 0.01709776872559892 0.008691071495630203 0.01709776872559892 0.00989145589459846 0.0019373982117215525 0.008691071495630203 0.0019373982117215525 0.033806106334865325" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.31352000       2.62291000      -5.62661000       0.68808679      -1.17106447       1.70697303
O       -0.15098000       0.26365000      -1.64216000      -0.20739230      -0.22902066       0.33521295
O        0.36140000       1.56081000      -4.39964000      -0.15469233       0.58234954      -0.71622657
O       -1.22719000       0.69663000      -6.21290000      -1.36373265       0.57259329       0.54294771
O       -1.51830000       2.39968000      -7.86742000       0.82625976       0.35880555      -0.78369625
O       -1.70094000       0.36262000     -10.56866000       0.25503272       0.82957807       1.61323469
O       -2.78099000       0.34147000     -13.09182000      -1.54687539      -0.69551474       0.55409508
O       -1.98241000       0.98264000     -15.58973000      -1.23848648       1.03238128      -0.91370053
Zn      -0.16338000       2.11147000      -2.37093000       0.17127556      -0.17551525      -0.48986026
Zn      -1.47047000       0.55712000      -8.43618000      -0.42137988      -0.17058283      -0.21980366
Zn      -1.71675000       2.26498000     -10.98100000       0.32854420      -0.28011610      -1.48852615
Zn      -1.25960000       1.26749000     -13.78821000       0.79912768       0.18381151       0.96841079
Zn      -0.56588000       0.08076000     -16.30228000       1.86423232      -0.83770518      -1.10906084
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.06667786 magmom=2.0074522 free_energy=-65.07087081 stress="-0.015565300876471259 -0.002671840859756478 0.006645904616111099 -0.002671840859756478 -0.009644563514030277 -6.762949140145136e-05 0.006645904616111099 -6.762949140145136e-05 0.022285502956703736" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.35246000       2.66966000      -5.51946000      -0.22125901      -1.11928888       0.75959900
O       -0.05353000       0.29903000      -1.72075000      -0.70055761      -1.01012399       0.61937613
O        0.37795000       1.49605000      -4.40995000      -0.51766677       1.52509270       0.31860467
O       -1.36556000       0.78185000      -6.12318000       0.51586546      -0.48214775      -0.44729461
O       -1.37957000       2.42481000      -8.01496000      -0.96545778      -0.60538682       0.36032816
O       -1.68255000       0.31122000     -10.41569000       0.33595634       1.05155338      -0.42355344
O       -2.99309000       0.21784000     -13.24735000       0.38036641       0.16169704       1.27194464
O       -2.23148000       1.11875000     -15.76610000       1.06794058       0.21252161       0.25500642
Zn      -0.11787000       2.07343000      -2.34098000       0.45994129       0.60016228      -0.64217257
Zn      -1.42262000       0.49015000      -8.42751000       0.78048319       0.91272782       0.27687488
Zn      -1.68416000       2.27033000     -10.98935000       0.07110484      -0.51764325      -0.98816777
Zn      -1.26130000       1.22300000     -13.82366000      -1.11266796      -0.65755546      -0.19294438
Zn      -0.57882000       0.17745000     -16.30261000      -0.09404897      -0.07160869      -1.16760113
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26331805 magmom=2.048574 free_energy=-65.27043421 stress="0.004163817105675245 -0.00722073015534543 -0.0025057617355540933 -0.00722073015534543 -0.03190233535830658 0.003011630769890211 -0.0025057617355540933 0.003011630769890211 0.013698681184750441" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.40758000       2.67014000      -5.36623000      -0.03238105      -0.75642606       0.52233419
O       -0.09174000       0.14532000      -1.68839000       0.35483532       0.60144827       0.19206201
O        0.26441000       1.69420000      -4.42187000      -0.66383770       0.57207794       1.37988191
O       -1.43122000       0.75974000      -5.96479000       0.55532799       0.17036238      -1.35285367
O       -1.37337000       2.34307000      -8.05505000       0.32745517      -0.14519584       0.49098795
O       -1.58185000       0.49277000     -10.35343000      -0.18488167      -0.65678533      -1.30791287
O        0.03082000       0.08054000     -13.13594000       0.84997593       0.19418131       0.56669900
O       -2.31881000       1.32063000     -15.91435000       1.32247052      -1.36596074       1.62949353
Zn      -0.04239000       2.05417000      -2.33855000      -0.47653178      -0.67145097      -0.64794647
Zn      -1.33624000       0.45866000      -8.40634000      -0.51992872       0.39909844       0.49979181
Zn      -1.64164000       2.25066000     -11.05652000       0.29611844       1.04576078      -0.29040806
Zn      -1.32064000       1.14181000     -13.86734000      -1.33630712      -0.44271966      -0.26539857
Zn      -0.58464000       0.28481000     -16.37667000      -0.49231533       1.05560950      -1.41673077
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.6151724 magmom=2.1453807 free_energy=-65.62427744 stress="0.019089335734239172 0.0029908378063882436 -0.0069903354128384 0.0029908378063882436 -0.0018022406721664727 0.005288332347384606 -0.0069903354128384 0.005288332347384606 -0.0159346486077498" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.46429000       2.63902000      -5.22934000      -0.18531955       0.49925042      -0.33241724
O       -0.06456000       0.09679000      -1.62538000       0.51284836       0.64166163       0.28591482
O        0.05320000       1.94894000      -4.23190000       0.86468243      -1.40528479       0.05515738
O       -1.40416000       0.74528000      -5.91404000      -0.71397677       0.72694746      -0.58871858
O       -1.34434000       2.25833000      -7.95513000       0.53020932       0.81480422      -0.19425854
O       -1.51875000       0.52968000     -10.52038000      -0.25989002      -0.87272141       1.00087931
O        0.01644000      -0.00523000     -12.97447000       0.17741204       0.60723861      -1.85404296
O       -2.13347000       1.30377000     -15.77122000      -0.25894262       0.07332228       0.18314035
Zn       0.00592000       2.00844000      -2.35873000      -0.62694697      -0.45595732       0.57790534
Zn      -1.27046000       0.44941000      -8.37255000      -0.76830635      -0.51725283      -0.38555052
Zn      -1.58603000       2.28412000     -11.13560000       0.35570673       0.88341136       0.17185361
Zn      -1.44463000       1.04018000     -13.91119000      -0.44672427      -0.49500698       1.21007398
Zn      -0.61121000       0.42261000     -16.50866000       0.81924769      -0.50041266      -0.12993696
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.69696743 magmom=2.1673409 free_energy=-65.70648013 stress="0.013739188104622728 -0.005237264700448686 0.005083165741073832 -0.005237264700448686 0.018627463228803095 -0.00036710319097423694 0.005083165741073832 -0.00036710319097423694 -0.024102048225318858" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.51205000       2.63224000      -5.18001000      -0.36625096       1.35318608      -0.09642730
O        0.05125000       0.16841000      -1.57686000      -0.17442650      -0.53617346      -0.49755734
O        0.00946000       1.91059000      -4.17594000       0.83381890      -0.89582825      -0.49078148
O       -1.47431000       0.84645000      -5.84164000      -0.35546542      -0.54975783      -0.62306387
O       -1.23379000       2.34026000      -7.88332000      -0.63747215      -0.36275356      -0.35726926
O       -1.51883000       0.41491000     -10.48727000       0.10587684       0.68021092       0.31037460
O        0.04891000       0.03620000     -13.14906000      -0.13192756      -0.17261607       0.39200252
O       -2.04038000       1.28528000     -15.68896000      -0.76130293       0.44132207      -1.37061117
Zn       0.01348000       1.95542000      -2.33214000       0.22838474       0.52451613       0.80265677
Zn      -1.25833000       0.42840000      -8.37059000       0.27532075       0.50668317      -0.27329521
Zn      -1.52863000       2.34900000     -11.18978000       0.06628798      -0.33497508      -0.06163277
Zn      -1.55678000       0.94026000     -13.88031000       0.09786755      -0.09188150       0.76104267
Zn      -0.59640000       0.50659000     -16.59949000       0.81928877      -0.56193261       1.50456185
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4287674 magmom=2.0430592 free_energy=-65.43573744 stress="-0.01254434278910182 -0.014125721338200168 0.017161632976688112 -0.014125721338200168 0.004811325118544633 -0.0076289490567505855 0.017161632976688112 -0.0076289490567505855 0.00776652100552234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.56836000       2.67679000      -5.18913000       0.06341560       0.28888866       0.26162474
O       -3.09847000       0.11704000      -1.66989000      -0.83189204      -0.36432773       0.01620645
O        0.10116000       1.71709000      -4.27716000      -0.73383615       0.82403601       1.55675655
O       -1.60766000       0.87432000      -5.74089000       0.83645514      -1.07837485      -1.63246646
O       -1.25280000       2.38017000      -7.85562000      -0.16126282      -0.54051336      -0.10781686
O       -1.49507000       0.44621000     -10.40093000       0.31104974       0.54190747      -1.11656642
O        0.01204000       0.01932000     -13.27426000      -0.88300672      -1.01040015       1.28905464
O       -2.12083000       1.36933000     -15.90123000       0.28791092       0.16676574       0.59409449
Zn       0.03347000       1.93271000      -2.25454000       0.71437160       0.41573513      -1.07971246
Zn      -1.23985000       0.43596000      -8.38986000      -0.18168697       0.68123965       0.06964129
Zn      -1.46911000       2.39664000     -11.23583000      -0.26155413      -0.22338364       0.70504230
Zn      -1.65293000       0.84579000     -13.81003000       0.65958526       1.03360996      -1.44219818
Zn      -0.53193000       0.55056000     -16.59796000       0.18045057      -0.73518288       0.88633991
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95201298 magmom=2.026033 free_energy=-64.95639068 stress="-0.011095523414343408 -0.014081081478229994 -0.003933945014659398 -0.014081081478229994 -0.020828454395581706 -0.0050834613139799974 -0.003933945014659398 -0.0050834613139799974 0.0034758158106310074" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57999000       2.74621000      -5.22914000       0.26718841      -1.97508510       1.25037291
O       -3.18594000      -0.01671000      -1.80983000       1.16538594       1.38681320       1.31383630
O        0.08643000       1.62576000      -4.16505000      -0.41908641       0.96693462      -0.60361145
O       -1.61323000       0.70133000      -5.80162000       0.32618063       0.96359565      -1.10906741
O       -1.33541000       2.31483000      -7.82937000       0.57478435       0.42464668      -0.55987135
O       -1.38679000       0.63879000     -10.54542000      -0.21192738      -0.42899633       0.00166260
O        1.39446000       2.57032000     -13.18196000       0.55070240       0.80467587      -0.64302146
O       -2.14247000       1.52265000     -16.07224000       1.07447617      -0.93842290       1.76350944
Zn       0.09680000       1.92630000      -2.20421000      -1.28713524      -1.00111890      -1.11386912
Zn      -1.22822000       0.49355000      -8.41643000      -0.86059726      -0.11222888      -0.02749949
Zn      -1.40494000       2.44426000     -11.24677000       0.10525999       0.39711140       1.21786589
Zn      -1.75122000       0.77432000     -13.79159000      -0.50601421      -0.45833387      -0.77476611
Zn      -0.44007000       0.56088000     -16.52996000      -0.77921739      -0.02959143      -0.71554074
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.0891311 magmom=2.0745933 free_energy=-65.09682686 stress="0.018661450443004744 0.012404756524331378 -0.007926482483347444 0.012404756524331378 -0.03122545496577003 0.0037903035540287422 -0.007926482483347444 0.0037903035540287422 0.01055821689094017" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52176000       2.73318000      -5.24092000       1.73886687      -1.93984508       0.80634224
O       -3.11315000       0.08031000      -1.71217000      -0.05003332      -0.72696773       0.96081222
O       -0.04047000       1.66793000      -4.20506000       0.17511402       0.49510753      -0.39548351
O       -1.54867000       0.58808000      -5.98361000      -1.70046210       1.58494895      -0.19003472
O       -1.32015000       2.35639000      -7.89966000       0.17178629       0.84197851      -1.02797125
O       -1.29138000       0.75511000     -10.73832000      -0.43916623      -1.08275251       1.59025814
O        1.21667000       2.43181000     -13.14923000       0.68898016       1.05494616      -0.39090746
O       -1.92861000       1.49309000     -15.89149000      -0.27405182      -0.80177037       0.73880709
Zn       0.12571000       1.87405000      -2.19938000      -0.14361410       0.97959789      -1.08388771
Zn      -1.26535000       0.56205000      -8.45361000      -0.36618879      -0.58338487       0.02761627
Zn      -1.31791000       2.53953000     -11.19462000       0.05164271       0.94452132      -0.48704343
Zn      -1.90292000       0.66152000     -13.81886000      -0.31088157      -0.48781411      -0.29742020
Zn      -0.35932000       0.56867000     -16.47053000       0.45800789      -0.27856570      -0.25108767
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.44730288 magmom=2.1528764 free_energy=-65.45885354 stress="-0.0044333084803430435 -0.00028809990359834366 0.012785560277225586 -0.00028809990359834366 0.01973716364317579 0.007436832746973012 0.012785560277225586 0.007436832746973012 0.00021635110355493713" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52031000       2.65367000      -5.24863000       0.14210252      -0.50903724      -0.99913015
O       -2.98866000       0.09185000      -1.46407000      -0.50768462      -0.59073547      -0.83959783
O       -0.11169000       1.73009000      -4.35607000       0.48368391      -0.12033552       2.24235135
O       -1.64953000       0.68963000      -6.03075000      -0.26221991       0.77395762       0.01748506
O       -1.29283000       2.53818000      -8.13637000      -0.68039380      -0.79389421      -0.23911755
O       -1.27233000       0.70277000     -10.62644000       0.35492328       0.95250539       0.70853526
O        1.18761000       2.49814000     -13.19822000       0.13579969      -0.32134065       0.88761173
O       -1.77432000       1.29597000     -15.60166000      -0.62554727       0.39308838      -1.34007983
Zn       0.13120000       1.85768000      -2.24364000       0.27812258       0.60733570      -1.06363068
Zn      -1.31810000       0.60753000      -8.49356000       0.53372325       0.89047076       0.01878520
Zn      -1.23770000       2.66330000     -11.16124000      -0.92936633      -1.05399341      -0.84502814
Zn      -2.06157000       0.53279000     -13.85322000       0.39630201       0.56432860       0.66375631
Zn      -0.26280000       0.56520000     -16.41981000       0.68055470      -0.79234995       0.78805926
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.47409677 magmom=2.1062624 free_energy=-65.48663931 stress="0.009490488958956104 0.0006093597093636982 0.01058794262740499 0.0006093597093636982 0.014576348666440359 -0.006346941771577248 0.01058794262740499 -0.006346941771577248 -0.010292970616289247" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.68975000       2.57955000      -5.31312000      -0.26926655       1.55217202       2.03508780
O       -1.40574000       2.77052000      -1.48179000      -0.64220362       0.38993561      -0.48369085
O       -0.08609000       1.75372000      -4.20544000       0.02096588      -0.13867484      -0.86773895
O       -1.73049000       0.84639000      -5.93861000       0.50508221      -1.49566246      -1.47182661
O       -1.36911000       2.53386000      -8.31049000       0.32021244       0.09006257       0.94798447
O       -1.23135000       0.81437000     -10.46122000      -0.17061101       0.18694853      -1.38146549
O        1.17626000       2.48761000     -13.08719000      -0.51000452      -0.54046338       0.57115067
O       -1.77659000       1.23085000     -15.62978000       0.21682055       0.43606760       0.09001519
Zn       0.14978000       1.87824000      -2.30627000       0.39967979      -0.10420224       0.62070510
Zn      -1.34076000       0.67421000      -8.52233000      -0.40761265       0.12825845       0.45777372
Zn      -2.82133000      -0.08347000     -11.15173000      -0.44495928      -0.38954600      -0.08098506
Zn      -2.14376000       0.47330000     -13.84810000       1.18401378       0.94256425       0.28449991
Zn      -0.16901000       0.52355000     -16.35269000      -0.20211702      -1.05746012      -0.72150990
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.60231781 magmom=2.0869045 free_energy=-65.61313794 stress="0.025956521996454287 -0.00058192771501962 -0.007267105616724276 -0.00058192771501962 0.004438745783501075 -0.003248031735353606 -0.007267105616724276 -0.003248031735353606 0.00609544117871577" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.69385000       2.57955000      -5.28921000       0.01243384       0.92824967       0.65180705
O       -1.54386000       2.75680000      -1.63540000       0.94521996       0.99226356       0.90843450
O       -0.05423000       1.75730000      -4.27498000      -0.24838349      -0.35535107       0.06256988
O       -1.71305000       0.79552000      -5.97359000       0.42905738      -0.59764280      -0.81364309
O       -1.39926000       2.56035000      -8.22421000       0.10724656       0.77264587       0.35110099
O       -1.22898000       0.95514000     -10.56687000      -0.26984426      -1.15478326       0.31167620
O        1.05880000       2.35786000     -12.92389000       0.12064430       0.12192376      -1.71956276
O       -1.72877000       1.27681000     -15.69821000       0.29635914      -0.15247259       0.77222315
Zn       0.18441000       1.89265000      -2.32661000      -1.11641591      -0.58558910      -0.22248499
Zn      -1.37899000       0.74329000      -8.53869000      -0.12496867      -0.51039969       0.05094341
Zn      -2.83297000      -0.06485000     -11.16390000      -0.07368101       0.88906022       0.21774470
Zn      -2.15713000       0.46947000     -13.80886000       0.38035506       0.44911771       0.84331991
Zn      -0.09159000       0.41977000     -16.31740000      -0.45802290      -0.79702227      -1.41412897
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.92494534 magmom=2.0493915 free_energy=-64.93323796 stress="0.011785854920646212 0.007265321344027442 -0.0040135410643984855 0.007265321344027442 -0.02805200866528585 0.015938989271512907 -0.0040135410643984855 0.015938989271512907 0.006496420984349943" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52098000       2.64246000      -5.24603000       0.97185472      -0.93649113      -2.02760217
O        0.06422000       0.17641000      -1.68890000       0.33554297      -1.45422502       0.64855879
O       -0.05769000       1.69483000      -4.45590000       0.06479147      -0.04862146       2.69425404
O       -1.58808000       0.61299000      -6.03184000      -0.89526642       1.36723980       0.19813475
O       -3.02308000      -0.01743000      -7.94057000      -0.31686168      -0.83518736      -1.12252651
O       -1.29786000       0.90390000     -10.70158000       0.34645894       0.37418850       1.34968255
O        0.92258000       2.22328000     -13.08195000       0.69461612       1.66038904       0.49319176
O       -1.57516000       1.27389000     -15.64519000      -0.14057300      -1.67485247      -0.20842331
Zn       0.17619000       1.88625000      -2.34268000      -0.50188957       1.40477124      -0.84019327
Zn      -1.44346000       0.81631000      -8.55908000       0.41120751       0.75269024       0.44229144
Zn      -2.86257000       0.00348000     -11.16945000      -0.89950018      -0.65602284      -0.53956728
Zn      -2.14503000       0.49226000     -13.69890000      -0.06017557      -0.94738902      -0.79911676
Zn      -0.01065000       0.22331000     -16.34637000      -0.01020531       0.99351048      -0.28868404
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.18784444 magmom=2.0778413 free_energy=-65.19704847 stress="-0.0054243982636948485 0.02901553193104739 -0.005838938615474772 0.02901553193104739 0.014682571287461393 0.0020243146591294964 -0.005838938615474772 0.0020243146591294964 0.008193820162876266" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.65231000       2.66615000      -5.35104000       1.31439723      -1.85648177       1.21002496
O       -3.03970000       0.14501000      -1.65268000      -0.29191755      -0.68360537       0.09098748
O       -0.03132000       1.59379000      -4.24426000       0.12031512       0.57268001      -1.18109474
O       -1.55643000       0.62889000      -5.91187000      -1.45584083       1.62614814      -0.95537265
O       -3.12560000       0.06149000      -7.84968000       0.24555864      -0.59877606      -0.94112041
O       -1.33516000       0.88442000     -10.57479000      -0.30608558       0.78435100       0.13124573
O        0.96489000       2.35524000     -13.20907000       1.84042739      -0.17011188       1.58276918
O       -1.43724000       0.95139000     -15.63690000      -0.82014779      -0.00841815      -0.21737150
Zn       0.12929000       1.94169000      -2.39218000       0.27174164       0.57368807       0.92648139
Zn      -1.50140000       0.93745000      -8.55794000      -0.11363124       0.33763520       1.05785049
Zn      -2.94181000       0.05787000     -11.20015000      -0.40393322      -0.99923991      -0.02795578
Zn      -2.14144000       0.48821000     -13.60711000      -0.84548116       0.65449994      -1.98357123
Zn       0.08447000       0.03037000     -16.39281000       0.44459734      -0.23236922       0.30712708
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.42876038 magmom=2.0181067 free_energy=-65.43499463 stress="-0.005874691234291165 -0.003943364026149195 0.010967616667147413 -0.003943364026149195 0.009336014017313016 -0.01695338698453688 0.010967616667147413 -0.01695338698453688 -0.00018966770333239905" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.58054000       2.63381000      -5.41629000      -0.86913460       0.33085529       1.69340262
O       -1.42790000       2.76825000      -1.64059000      -0.97043747       0.70179198      -0.26993115
O        0.01648000       1.58233000      -4.28326000      -0.20176669       0.85139075      -0.38849422
O       -1.66521000       0.83048000      -5.87050000       1.21446758      -0.85361235      -1.88170397
O        0.03007000       0.03262000      -7.88391000       0.13580424       0.75819631       0.23074590
O       -1.40632000       0.99996000     -10.45770000      -0.36534666      -0.23168137      -0.78433677
O        1.20934000       2.45506000     -13.03290000      -1.65413815      -0.99432675      -0.00018713
O       -1.46489000       0.67444000     -15.66029000      -0.09307041       0.62296870       0.62552373
Zn       0.10951000       2.01704000      -2.39167000       0.86751344      -0.86192209       0.10704585
Zn      -1.54988000       1.04227000      -8.51224000      -0.14555258      -0.95098616       0.66622107
Zn      -3.02599000       0.05692000     -11.21913000       0.05966910       0.04918164       1.73473173
Zn      -2.14414000       0.50959000     -13.62987000       2.40808180       1.23806314      -2.15722124
Zn      -1.44038000       2.65467000     -16.43274000      -0.38608960      -0.65991910       0.42420357
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-66.00703056 magmom=2.0046526 free_energy=-66.01277457 stress="0.010594122657665983 -0.005440485173006464 -0.010451754714557372 -0.005440485173006464 0.012563946869945488 -0.014858852645167746 -0.010451754714557372 -0.014858852645167746 0.013987260692151525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.55732000       2.62694000      -5.40896000      -0.45761620       0.93201588      -0.18598669
O       -3.15727000      -0.00360000      -1.65338000       0.90606653       0.78030775       0.40132382
O        0.01397000       1.72135000      -4.42442000       0.19594780       0.26525548       1.31521522
O       -1.59260000       0.84864000      -6.05479000       0.29070845      -0.69081444      -0.23398195
O        0.01743000       0.11556000      -7.83693000       0.04586735       0.06658895      -0.60731389
O       -1.52662000       1.03148000     -10.48800000       0.10654178      -0.52774271       0.61422604
O        1.16139000       2.38124000     -12.96417000       0.11945290       0.53611579      -1.08990582
O       -1.49987000       0.60968000     -15.60747000       0.54986130       0.49728806      -0.79651177
Zn       0.12465000       2.02969000      -2.37939000      -0.92287393      -1.06232500      -1.02181310
Zn      -1.59028000       1.07362000      -8.45407000       0.01230318      -0.43191886       0.23340738
Zn      -3.08106000       0.05926000     -11.15282000      -0.26314636       0.34615987       0.66830918
Zn      -2.05752000       0.57075000     -13.72966000       0.25789190      -0.28677757       0.53858944
Zn      -1.39816000       2.51595000     -16.42188000      -0.84100469      -0.42415319       0.16444214
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.95260013 magmom=2.0068178 free_energy=-65.95607969 stress="0.007225792449910651 0.005175233655487878 -0.005854283690219231 0.005175233655487878 0.0051669368423728785 0.008896270383026176 -0.005854283690219231 0.008896270383026176 0.026258023187851524" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.55563000       2.66763000      -5.46038000       0.54417069       0.34464416       0.40901895
O        0.08018000       0.17517000      -1.64680000       0.18487014      -0.56744215       0.07481643
O        0.03518000       1.92330000      -4.36805000       0.26240086      -0.76216077      -0.41986765
O       -1.48542000       0.78066000      -6.11694000      -1.05544203       1.04913108       0.39567448
O        0.01878000       0.19145000      -7.82135000      -0.13304093      -0.86774178      -0.55691978
O       -1.60654000       0.96483000     -10.41051000       0.51072789       0.35564459       0.15997350
O        1.12357000       2.41268000     -13.11779000       1.18828913       0.59695920       0.88549650
O       -1.42436000       0.64281000     -15.72210000      -0.15672606      -1.08329513       0.04739958
Zn       0.10311000       1.98793000      -2.40549000      -0.12878265       0.26800439       0.33748114
Zn      -1.62554000       1.07513000      -8.39559000       0.41328125       0.20991562       0.16539019
Zn       0.06641000       0.08180000     -11.04658000      -0.85164192      -0.60997391      -0.85503392
Zn      -1.95462000       0.61734000     -13.80407000      -0.54911907      -0.27100414       0.23347396
Zn      -1.40385000       2.36943000     -16.39894000      -0.22898730       1.33731885      -0.87690338
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.76626753 magmom=2.0008988 free_energy=-65.76785254 stress="-0.0003829922444465618 0.009345447072198346 0.010499266742265026 0.009345447072198346 -0.020567654840416956 0.0050741229240635795 0.010499266742265026 0.0050741229240635795 0.03601108730521304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.13227000      -0.04195000      -5.53374000      -0.34054107       1.07498010       1.95811800
O       -3.03481000       0.23190000      -1.64023000      -0.30530011      -1.33708724      -0.17935598
O        0.11214000       2.01215000      -4.41033000      -0.19268210      -0.63356518      -0.18327527
O       -1.55015000       0.92890000      -5.96058000       0.32266230      -0.09563580      -1.80292495
O       -0.00322000       0.08649000      -7.79691000      -0.03398131       0.65853756       0.83952898
O       -1.60823000       0.95112000     -10.28641000      -0.60157582       0.30574167      -0.77485341
O        1.36061000       2.59660000     -13.13207000       0.25752304      -0.30110565       0.43977913
O       -1.36670000       0.45197000     -15.88022000      -0.89014404       0.09671206       1.27841617
Zn       0.06222000       1.95237000      -2.41990000       0.33253950       0.95905764       0.05764195
Zn      -1.64371000       1.08103000      -8.32684000       0.24459060      -0.97495101       0.01547693
Zn      -0.05788000       0.06684000     -10.97165000       0.45732270      -0.49753774      -0.75649345
Zn      -1.86194000       0.65663000     -13.86632000       0.27502219       0.29744711       0.29818043
Zn      -1.42695000       2.26883000     -16.41671000       0.47456413       0.44740648      -1.19023852
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.63428387 magmom=1.9997244 free_energy=-65.63428422 stress="-0.017313138975994725 0.000901044280173783 0.026257765775532158 0.000901044280173783 5.274748046055123e-05 -0.004102044421743194 0.026257765775532158 -0.004102044421743194 0.02919025733670224" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09565000       0.11707000      -5.54412000      -0.84991224       0.91262722       1.28376810
O       -3.01937000       0.04168000      -1.68150000      -1.39394321       0.43681128      -0.08627555
O        0.14823000       1.99212000      -4.52652000      -0.65294886       0.08112851       1.29549946
O       -1.58036000       1.10413000      -6.03135000       1.08712635      -1.31411163      -0.62940686
O       -0.03311000       0.07985000      -7.55463000       0.29769578       0.56928996      -1.07511898
O       -1.72147000       0.99936000     -10.27418000      -0.31796516      -0.36771550       0.46280162
O       -3.14343000      -0.06697000     -13.00749000      -1.52479841      -0.85675506      -0.04343763
O       -1.46559000       0.21073000     -15.79791000       0.41421425       1.07739092      -0.03714297
Zn       0.04117000       1.95501000      -2.43042000       1.37661063      -0.62084824      -1.06387532
Zn      -1.64850000       1.04152000      -8.25671000       0.03490447      -0.35297833      -0.18062671
Zn      -0.18239000       0.02266000     -10.93490000       0.55842342       0.31096512      -1.04656707
Zn      -1.73479000       0.72244000     -13.91863000       1.42953364       0.70612698       1.32046666
Zn      -1.43597000       2.18853000     -16.50325000      -0.45894066      -0.58193123      -0.20008475
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.72986849 magmom=1.9997922 free_energy=-65.72988224 stress="-0.015376881986767786 -0.004587415160464686 -0.0022761126973498778 -0.004587415160464686 0.029330098673226127 0.0018882539856869193 -0.0022761126973498778 0.0018882539856869193 0.020306400578829365" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07031000       0.28150000      -5.50204000       0.68510103      -1.83710655       0.71815186
O       -1.61625000       2.71615000      -1.76235000       1.02955496       0.65537591       0.39518651
O        0.07352000       1.98998000      -4.43895000       0.05635569       0.51323657      -0.03342763
O       -1.48098000       1.09357000      -6.10706000      -1.38426137       1.18394316       1.13353531
O        0.00314000       0.18080000      -7.49028000      -0.02492071      -0.70075197      -1.45658947
O       -1.88423000       0.97576000     -10.18713000       0.33528829      -0.30804489      -0.06161834
O       -1.53242000       2.68051000     -12.96371000      -0.30087379      -0.17225505      -0.87973112
O       -1.51060000       0.21035000     -15.73685000       0.27092376       0.47959691      -0.90624276
Zn       0.07452000       1.93418000      -2.48407000      -0.91675668      -0.79005388      -0.54231763
Zn      -1.64885000       0.98664000      -8.21351000       0.43184720       0.67029231      -0.54344715
Zn      -0.26398000      -0.00362000     -10.95483000       0.06332106       0.27757242      -0.28483242
Zn      -1.56150000       0.81141000     -13.89105000       0.09509853       0.04720787       1.85352388
Zn      -1.45837000       2.09312000     -16.58914000      -0.34067798      -0.01901280       0.60780896
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.72907414 magmom=1.9998478 free_energy=-65.73002203 stress="-0.0021856672382670685 -0.004226181778023358 -0.0031760425997597983 -0.004226181778023358 0.007551558943581859 0.011880899466935975 -0.0031760425997597983 0.011880899466935975 0.02320457072419166" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06633000       0.33410000      -5.45174000      -0.81007260      -0.96011406       0.87907363
O        1.59340000       2.76657000      -1.75937000       0.62514075       0.22355119      -0.45600770
O        0.00836000       2.07398000      -4.41011000       0.11745067       0.62326924      -0.58046299
O       -1.58185000       1.23515000      -5.91273000       0.48104676      -0.33469094      -1.28882005
O        0.00838000       0.13764000      -7.62200000      -0.36379054      -0.21023385       0.55380320
O       -1.95753000       0.89052000     -10.14620000       0.41756188       0.18060951      -1.26112816
O       -1.60099000       2.61263000     -13.04539000       0.47243255       0.64434850       0.73672309
O       -1.48540000       0.31250000     -15.83450000      -0.05792275      -0.56198756       0.73048021
Zn       0.06888000       1.87434000      -2.54732000      -0.52139267      -0.34490935       1.22029698
Zn      -1.62384000       0.97461000      -8.20742000       0.32338445       0.71997303      -0.32100351
Zn      -0.32750000      -0.01220000     -10.99058000       0.06267176      -0.22687812       0.29574170
Zn      -1.40658000       0.88710000     -13.78373000      -0.73352649      -0.94321003      -0.93116868
Zn      -1.49655000       2.01340000     -16.63209000      -0.01298379       1.19027244       0.42247227
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.30319879 magmom=2.0021071 free_energy=-65.3044083 stress="0.0007321828347577896 0.02135954399516351 0.0019459764732075663 0.02135954399516351 -0.021320309587930294 0.021628329267903895 0.0019459764732075663 0.021628329267903895 0.03418776788956625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02191000       0.33093000      -5.37840000      -1.16736308       0.50495783      -0.44617873
O       -3.05942000       0.06115000      -1.81984000      -0.55956867      -1.13862641       0.29195716
O       -0.03500000       2.28354000      -4.49650000       0.37646215      -0.68300351       1.81151511
O       -1.65301000       1.29575000      -5.86716000       0.79214236      -0.98357723      -1.35668346
O       -0.05277000       0.05225000      -7.59080000       0.61739510       1.01876441      -0.32976284
O       -1.93796000       0.84322000     -10.34887000      -0.16405263       0.53596883       0.81615073
O       -1.55169000       2.66017000     -13.00383000       1.03952134      -0.03351113       0.25840176
O       -1.46527000       0.30141000     -15.81040000      -0.09510076      -0.41907627       0.21488386
Zn       0.02593000       1.78926000      -2.55706000       0.42427182       0.96576135      -0.04729099
Zn      -1.58054000       1.00205000      -8.23601000      -0.78540852      -0.18879515      -0.50583785
Zn      -0.39083000      -0.03527000     -11.01571000       0.70081760      -0.47403036       0.00675615
Zn      -1.28260000       0.92166000     -13.70722000      -1.32031464      -0.34677813      -1.26921425
Zn      -1.54131000       1.99730000     -16.64878000       0.14119796       1.24194577       0.55530333
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.90720729 magmom=2.000731 free_energy=-64.90784505 stress="0.010217306867095688 0.02263937494724427 0.009213641316666504 0.02263937494724427 0.01359072592703757 0.021370227230568264 0.009213641316666504 0.021370227230568264 0.03282615572915992" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11010000       0.33807000      -5.34518000       1.50893709      -0.58881393      -0.85659660
O       -1.37902000       2.72583000      -1.88709000      -1.78739964       0.09092724       1.55212338
O       -0.03169000       2.44261000      -4.28169000      -0.10888172      -0.79721719      -1.10579402
O       -1.62156000       1.18683000      -6.01012000      -1.08198542       1.22603050       0.65855634
O        0.00886000       0.17041000      -7.54801000       0.03229481       0.01295112      -1.37247401
O       -1.93795000       0.90833000     -10.44972000      -0.10588659      -0.42531623       1.89555601
O       -2.81127000      -0.02339000     -12.87057000      -0.29915666      -0.17579755      -0.99868142
O       -1.47068000       0.16302000     -15.69917000      -0.36295377       0.86504269      -0.30866753
Zn      -0.00611000       1.70910000      -2.55541000       1.54757935      -0.67823337       0.55373172
Zn      -1.56519000       1.04090000      -8.32303000      -0.49601244       0.21342965       0.12983765
Zn       1.16151000       2.68931000     -11.06966000       0.78311993       0.62922829      -0.31417022
Zn      -1.18122000       0.93725000     -13.67813000      -0.24232350      -0.37595931      -0.58332762
Zn      -1.59710000       2.06285000     -16.63097000       0.61266854       0.00372809       0.74990633
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.62091614 magmom=2.0010678 free_energy=-64.62269486 stress="0.02551658392043365 -0.006827646351834721 0.00505048660987177 -0.006827646351834721 0.04015856423361936 0.016043360498647966 0.00505048660987177 0.016043360498647966 0.007232998290921011" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.22077000       0.31717000      -5.41360000       1.90422698       0.31571931       0.27083183
O       -1.62260000       2.50623000      -1.67732000       0.28273014       0.17950785      -1.22965699
O       -0.01378000       2.47057000      -4.21459000      -0.68039936      -0.59186957      -0.69352431
O       -1.73143000       1.26035000      -5.97415000      -0.70310796       0.43526433      -0.34752694
O        0.07441000       0.35865000      -7.68675000      -1.24892036      -0.98047983       0.00036366
O       -1.97365000       0.92409000     -10.20393000      -0.06510442      -0.55466368      -2.65556231
O       -2.44576000       0.02820000     -12.88344000      -2.21419072      -1.27423637       0.89396400
O       -1.55536000       0.17086000     -15.62145000      -0.00230712       0.93149584       0.09445815
Zn       0.02556000       1.57855000      -2.51343000      -0.13858333      -0.33080333       0.87273448
Zn      -1.56967000       1.10633000      -8.43744000       0.79019066       0.87381939       2.35954829
Zn       1.14565000       2.63372000     -11.13153000       0.45072330       0.74595418       0.37767623
Zn      -1.05714000       0.94494000     -13.68794000       1.22290117       0.63425255      -1.48102500
Zn      -1.63841000       2.15693000     -16.55106000       0.40184102      -0.38396068       1.53771891
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95608126 magmom=2.0021011 free_energy=-64.9576685 stress="0.03183424780879189 -0.004502348989712583 -0.0017612235963042708 -0.004502348989712583 0.005017495091137957 -0.006374369378140411 -0.0017612235963042708 -0.006374369378140411 0.03680340148176503" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23553000       0.31623000      -5.49280000       0.20079985       2.16398884       1.03239764
O       -1.77524000       2.38334000      -1.65490000       1.49397575       0.68044247       0.22266671
O       -0.07706000       2.42246000      -4.33990000      -0.82007456      -0.66525441       0.88906064
O       -1.89061000       1.36510000      -5.91676000       0.96267444      -1.93185060      -1.60006855
O       -0.04980000       0.33786000      -7.73404000       0.46105957      -0.61819773       0.32730804
O       -1.99706000       0.82274000     -10.35988000       0.31797397       0.09762870       0.06099296
O       -0.90349000       2.67074000     -12.83924000      -0.54627151       0.25334049      -1.10136989
O       -1.62450000       0.35829000     -15.56837000       0.34331252       0.37763375      -0.32050747
Zn       0.04524000       1.44683000      -2.43994000      -1.34668517      -0.32295295      -0.82517576
Zn      -1.55503000       1.19910000      -8.45053000      -1.08569897       0.42965190       0.20411042
Zn       1.15509000       2.62675000     -11.16721000       0.22044540       0.28766747       0.59224248
Zn      -0.91587000       0.96654000     -13.74858000      -0.23635240      -0.70948246       0.33819087
Zn      -1.65239000       2.21800000     -16.41982000       0.03484110      -0.04261548       0.18015191
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.23413764 magmom=2.0008474 free_energy=-65.2341835 stress="0.032369605520834725 0.004461153531519563 -0.002242147759094301 0.004461153531519563 -0.008490244005188271 0.010024057405094799 -0.002242147759094301 0.010024057405094799 0.046591154708478445" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23372000       0.37645000      -5.51851000      -0.01855104      -0.75390672       1.17392908
O       -1.64027000       2.38514000      -1.65144000       0.06343654      -0.53968450       0.35945927
O       -0.23091000       2.28158000      -4.33857000       0.16990547      -0.49961954      -0.26593286
O       -1.85435000       1.25663000      -6.04728000       0.40511817       0.49485103      -0.13844554
O       -0.09980000       0.23766000      -7.66299000      -0.02098711       1.02566620      -0.81217847
O       -1.96748000       0.77230000     -10.50296000       0.07490593       0.54288795       1.47084037
O       -1.08560000       2.61060000     -12.96798000      -0.11487899       0.69163829      -0.30176952
O       -1.61086000       0.54224000     -15.58669000       0.22259621      -1.00873355      -0.00543271
Zn       0.00529000       1.34784000      -2.41461000      -0.19819314       1.01711702      -0.32604843
Zn      -1.58345000       1.28004000      -8.44090000      -0.65606293      -1.06724770      -0.07454942
Zn       1.17595000       2.63458000     -11.16862000       0.58298532      -0.12259060      -0.12023212
Zn      -0.82176000       0.94847000     -13.78262000      -0.60838413      -0.91203694       0.22751685
Zn      -1.65847000       2.26554000     -16.31450000       0.09810969       1.13165906      -1.18715650
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.05243352 magmom=2.0001783 free_energy=-65.05256321 stress="0.0025825008281134447 0.029518142891378288 -0.015998249847885934 0.029518142891378288 0.005503923790622324 0.006123378098665114 -0.015998249847885934 0.006123378098665114 0.036229017154810805" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.22530000       0.39514000      -5.50265000       0.92820455      -1.64180004       0.07830449
O       -1.48180000       2.30982000      -1.57941000      -0.88572459       0.25276605      -0.16125337
O       -0.33222000       2.03793000      -4.39320000       0.82469772       0.35946300       0.54409950
O       -1.75743000       1.21674000      -6.11383000      -1.35991658       0.84517049       0.20731071
O       -0.12680000       0.33457000      -7.69862000       0.25810844       0.10875319      -0.66080943
O       -1.91009000       0.83459000     -10.33820000       0.01379303      -0.09128430      -0.87650738
O       -1.20886000       2.62238000     -13.11428000       1.71044661      -1.22806616       1.86762357
O       -1.55318000       0.53085000     -15.61709000      -0.44833769       0.12397613       0.12667330
Zn      -0.04749000       1.30288000      -2.40985000       0.58140834       0.34750326      -0.04174709
Zn      -1.65367000       1.30424000      -8.43790000      -0.49854747      -0.34074464       0.83503309
Zn       1.22731000       2.63970000     -11.17196000       0.51766879       0.23155141       0.33549062
Zn      -0.78905000       0.90032000     -13.81013000      -2.41966316       1.16705899      -0.85610882
Zn      -1.65534000       2.36324000     -16.28037000       0.77786203      -0.13434737      -1.39810918
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.87167709 magmom=2.0056344 free_energy=-64.87388176 stress="-0.003921324520927624 -0.008187628473476226 0.011569717395292054 -0.008187628473476226 0.01528738423218914 -0.025418527727401975 0.011569717395292054 -0.025418527727401975 0.009093861413808992" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16846000       0.32272000      -5.52000000      -0.67754701      -0.32360940       0.31451413
O       -1.49748000       2.25157000      -1.52544000      -0.88241420       0.48481514      -0.59403514
O       -0.25987000       1.76307000      -4.34031000       0.15962099       1.45824819       1.25696298
O       -1.85373000       1.29135000      -6.03068000       0.85996351      -0.99332950      -1.12409626
O       -0.13039000       0.50601000      -7.82339000      -0.93669248      -1.45515158       0.73868435
O       -1.82327000       0.90527000     -10.30161000       0.09238661      -0.52544962      -0.89103537
O       -1.04364000       2.47773000     -12.92550000      -0.21877468       1.22240535      -0.94946350
O       -1.57771000       0.50884000     -15.62878000      -0.00719907       0.68652958      -0.09900842
Zn      -0.08329000       1.27040000      -2.40611000       0.70434271      -0.02419489       0.12789399
Zn      -1.78303000       1.31086000      -8.39164000       0.70515731       0.79348594      -0.19099375
Zn       1.33629000       2.66179000     -11.15436000       0.08494548       0.62752794       0.81650071
Zn      -0.87715000       0.86953000     -13.88092000      -0.16623211      -1.02472943       1.62454751
Zn      -1.60134000       2.50016000     -16.33162000       0.28244295      -0.92654773      -1.03047123
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.76569416 magmom=2.134993 free_energy=-64.7726003 stress="0.0020078885050723617 -0.014469316484236643 0.006658788489044966 -0.014469316484236643 0.007329076025423926 -0.0011201418724384373 0.006658788489044966 -0.0011201418724384373 0.0019489724038294993" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12547000       0.24311000      -5.54941000      -1.38529563       0.80248416       1.71822063
O       -1.72179000       2.27672000      -1.59132000       0.12039479      -0.47354091      -0.05452581
O       -0.11356000       1.59457000      -4.15650000      -0.33003042       0.52584495      -2.33477315
O       -1.85986000       1.22266000      -6.02499000       1.40155901      -0.62825516      -0.60820919
O       -0.29643000       0.40604000      -7.76086000       0.26625397      -0.23360511       0.11731180
O       -1.69988000       0.88355000     -10.45116000      -0.15031535       0.17551911       1.23061648
O       -0.85266000       2.51604000     -12.87811000      -0.57480878       0.03084957      -1.57019194
O       -1.60556000       0.64972000     -15.67349000       0.87709240       0.56681063      -0.50793449
Zn      -0.08907000       1.22945000      -2.37833000      -0.08800901       0.46538831       1.18948491
Zn      -1.91671000       1.35625000      -8.34430000       0.22453936      -0.58860211      -0.88608739
Zn      -0.11987000      -0.06476000     -11.07215000       0.23755662       0.21593639      -0.38710902
Zn      -1.00980000       0.78602000     -13.87985000       0.09269558      -0.05062686       2.23260876
Zn      -1.51765000       2.61818000     -16.45700000      -0.69163255      -0.80820298      -0.13941159
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.72504071 magmom=1.9998386 free_energy=-64.72661784 stress="-0.008157251135941679 -0.010130795730807359 0.006934115175424735 -0.010130795730807359 -0.020327023242754837 -0.01810739429309241 0.006934115175424735 -0.01810739429309241 0.006954674619104267" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14586000       0.23208000      -5.51979000       0.33235523      -2.62170175      -0.90187142
O       -1.87005000       2.22723000      -1.68337000       1.14122245       0.01589399       0.00118825
O       -0.05884000       1.50983000      -4.32740000      -0.04124756       2.19333102       2.14056789
O       -1.69867000       1.07770000      -6.04152000      -1.40457008       0.93836938       0.01375690
O       -0.39400000       0.28771000      -7.62779000       1.16299284       0.74284886      -1.02193248
O       -1.62344000       0.89619000     -10.35511000       0.00637479       0.44133378       0.35159306
O       -0.86203000       2.54141000     -13.08649000      -2.16949861      -0.60419906       0.96140420
O       -1.47909000       0.85164000     -15.80335000       0.18901646      -0.48628116       0.03861862
Zn      -0.09966000       1.21952000      -2.32019000      -1.02287293       0.50327468      -1.09138603
Zn      -2.00339000       1.36057000      -8.35760000       0.22305590      -1.67243966      -0.23994513
Zn       0.00355000      -0.00586000     -11.03806000       0.16465760      -0.25679765      -0.58479754
Zn      -1.09967000       0.72219000     -13.78919000       1.35441314       0.73980840      -0.58046819
Zn      -3.07926000      -0.11268000     -16.53579000       0.06410077       0.06655916       0.91327187
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.3293831 magmom=2.0000177 free_energy=-65.3294834 stress="-0.008775045283696603 0.0047608610754732595 0.009715400978843195 0.0047608610754732595 0.0034097287084817263 -0.0056190520153169875 0.009715400978843195 -0.0056190520153169875 0.027579887264823584" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15592000       0.17181000      -5.53389000      -0.13827768      -0.55241515       1.69331775
O       -1.76540000       2.18354000      -1.73818000       0.17888843       0.35002552       0.44568928
O       -0.06043000       1.63472000      -4.26353000      -0.36232163       0.72609627      -0.63565731
O       -1.77113000       1.06582000      -5.96477000       0.12963766       0.24485469      -0.96915969
O       -0.25954000       0.32392000      -7.66263000      -0.73091092      -0.77969217      -0.07920129
O       -1.56266000       0.98348000     -10.23811000       0.20707705      -0.12060572      -1.35582301
O       -1.22800000       2.51171000     -13.09109000       0.47194305       0.52605093       0.70490594
O       -1.34882000       0.90294000     -15.86990000      -0.49422554      -0.61112636       1.08410640
Zn      -0.15359000       1.23912000      -2.32424000      -0.08533899       0.25855285      -0.96388820
Zn      -2.05234000       1.28779000      -8.37948000       1.21271777       0.11771318       0.69443186
Zn      -3.11307000       0.01907000     -11.04304000      -0.08577555      -0.01499818       0.20356837
Zn      -1.11804000       0.69568000     -13.74138000      -0.87887498      -0.09979720      -1.19550687
Zn      -3.04688000      -0.06993000     -16.56806000       0.57546132      -0.04465866       0.37321676
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.54141846 magmom=2.0008087 free_energy=-65.54214488 stress="0.00822494203755142 0.011614176058010796 0.003812328928473652 0.011614176058010796 0.006170103895951195 -0.004845489217114908 0.003812328928473652 -0.004845489217114908 0.02138322001159487" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17360000       0.10821000      -5.47927000      -0.75650509       0.43340458       1.30034263
O       -1.63183000       2.24879000      -1.68913000      -1.18352682       0.58715365       0.18680774
O       -0.14611000       1.86177000      -4.31158000      -0.23939910       0.22702671      -0.36340369
O       -1.84794000       1.06665000      -5.97868000       0.88908405      -0.65211276      -0.78193066
O       -0.26063000       0.20850000      -7.67696000      -0.56153963       0.04997750       0.04581087
O       -1.46342000       1.04574000     -10.34488000      -0.08849199      -0.50539146       0.72371610
O       -1.48915000       2.52518000     -12.92579000       1.46198350      -0.69531388      -1.01889573
O       -1.32822000       0.81883000     -15.72249000      -0.44923664       0.14080193      -0.53834096
Zn      -0.20950000       1.26868000      -2.39060000       1.16818993       0.00000157      -1.07774553
Zn      -2.02997000       1.20938000      -8.38087000       1.10827102      -0.45289184      -0.15646328
Zn      -3.01788000       0.05264000     -11.03848000      -0.20000311       0.49681633       0.56526918
Zn      -1.18868000       0.68126000     -13.76474000      -1.52730917       0.84159706      -0.11431285
Zn      -2.98192000      -0.03108000     -16.56866000       0.37848305      -0.47106939       1.22914616
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.44489779 magmom=2.0010513 free_energy=-65.44546287 stress="0.023810692575798195 0.007615588207689318 -0.012486584949673486 0.007615588207689318 0.008531302218837121 -0.0023077085397450337 -0.012486584949673486 -0.0023077085397450337 0.024081598994207472" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23107000       0.06563000      -5.38549000      -0.20809706       0.38883815      -1.75974748
O       -1.71722000       2.42438000      -1.62883000      -0.12485906      -0.60453248      -0.93250494
O       -0.28971000       2.12242000      -4.43917000       0.72002460      -1.48029301       2.09257552
O       -1.80612000       0.97871000      -6.03967000      -0.94203927       0.79290092       0.46613637
O       -0.40641000       0.06483000      -7.60527000       0.93930768       0.60097042      -1.05949182
O       -1.36241000       1.01734000     -10.33775000      -0.01727005       0.13143984       0.72493323
O       -1.45701000       2.42600000     -12.94360000       0.17532110       1.13532346      -0.55470158
O       -1.40022000       0.74916000     -15.68454000       0.92719385       0.61974479      -0.82221860
Zn      -0.21674000       1.31300000      -2.52046000       0.03757069       1.19466434       0.03371332
Zn      -1.93426000       1.09752000      -8.39281000       0.05795415      -0.77083162       0.72311372
Zn      -2.92243000       0.11233000     -11.00774000      -0.42781286      -0.38883843      -0.52956827
Zn      -1.35475000       0.70490000     -13.79011000      -0.14098502      -0.77405599       1.27894694
Zn      -2.88757000      -0.01481000     -16.49964000      -0.99630875      -0.84533039       0.33881357
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.5369675 magmom=2.008042 free_energy=-65.5386226 stress="0.014760193566045075 0.0012845937103815217 -0.002011166071310582 0.0012845937103815217 0.0027078018451135296 0.01576064164972741 -0.002011166071310582 0.01576064164972741 0.027260079814541257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.29814000       0.04273000      -5.42492000      -0.09839682       0.92246421       0.49791368
O        1.38199000       2.49244000      -1.74504000       0.33573984      -0.21697850       0.09055514
O       -0.32342000       2.13724000      -4.28962000       0.12902426      -0.03926265      -1.93833535
O       -1.90832000       1.02147000      -5.92413000      -0.06599833      -0.44127324      -0.77196688
O       -0.33782000       0.04835000      -7.63442000       1.05718427      -0.24479234      -0.18948702
O       -1.27466000       1.00656000     -10.21882000      -0.00903430       0.37902740      -1.28030349
O       -1.38350000       2.54100000     -13.08706000      -0.91113545       0.16934150       1.07908994
O       -1.28655000       0.82142000     -15.79386000       0.20523793       0.39705298       0.90189480
Zn      -0.21608000       1.40627000      -2.62790000      -0.01696372      -0.04419699       2.65988419
Zn      -1.84605000       0.95741000      -8.36989000      -0.76382082       0.27932842       1.39958292
Zn      -2.85509000       0.15102000     -10.99845000      -0.35129454      -0.68815299      -0.40596352
Zn      -1.51635000       0.69421000     -13.75793000       1.15302945       0.25692699      -0.68085044
Zn      -2.85109000      -0.04585000     -16.42107000      -0.66357177      -0.72948479      -1.36201396
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.53541167 magmom=1.9992618 free_energy=-65.53551494 stress="0.008003344777055431 -0.002957298876096545 0.0035733820077472446 -0.002957298876096545 -0.011329563547704466 0.016500632150530006 0.0035733820077472446 0.016500632150530006 0.03700251964755171" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.36316000       0.06356000      -5.47606000       0.14814953       0.88922261       0.54481033
O        1.35391000       2.48897000      -1.84977000       0.52989816       0.09495845       0.67303018
O       -0.31784000       2.09910000      -4.47012000      -0.34998881      -0.80897470       0.65360250
O       -2.01465000       1.03874000      -5.89539000       0.97228005      -0.30562648      -1.62443953
O       -0.09726000      -0.00795000      -7.64448000      -1.42995362      -0.54296991       0.14979029
O       -1.21375000       1.07237000     -10.30680000      -0.42650611      -0.08137937       0.32443870
O       -3.12027000      -0.09605000     -12.98560000      -0.49038836      -0.54388338      -0.25293449
O       -1.12850000       0.94922000     -15.71379000      -0.71282552      -1.00282586       0.14897705
Zn      -0.21823000       1.49697000      -2.59716000      -0.20338328       0.26003828       0.63898284
Zn      -1.79363000       0.84743000      -8.29436000       1.12538620       0.77176845      -0.42754834
Zn      -2.81514000       0.14903000     -11.01477000      -0.18953633      -0.20360335       0.10903199
Zn      -1.59554000       0.69579000     -13.75904000       0.92850885       0.79317219       0.14068364
Zn      -2.85823000      -0.10747000     -16.42221000       0.09835925       0.68010309      -1.07842516
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33799861 magmom=1.9953827 free_energy=-65.33855936 stress="0.007438731607535888 0.013768360793446925 -0.015069028761601063 0.013768360793446925 -0.009124164795701906 0.01255399555134989 -0.015069028761601063 0.01255399555134989 0.025470512582828474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.40872000       0.12362000      -5.52272000       1.35648069      -0.97578146      -0.27330875
O        1.43834000       2.51483000      -1.81046000      -0.23276057       0.53495189       0.61059692
O       -0.37656000       1.93179000      -4.62154000       0.13277746       0.09328727       2.16062764
O       -1.96233000       1.01641000      -6.10176000      -0.54873830      -0.28774944       0.31737088
O        1.49852000       2.63819000      -7.61988000      -0.35630653       0.93303807      -1.07664124
O       -1.24108000       1.11511000     -10.34147000      -0.13864871      -0.63240485       0.85372019
O       -0.15786000      -0.07845000     -12.92210000       1.52361006      -0.65991517      -0.60823972
O       -1.13022000       0.88731000     -15.62972000      -0.60776024      -0.35515700      -1.45020673
Zn      -0.22807000       1.59874000      -2.50667000       0.43786898      -0.10347790      -0.81227135
Zn      -1.69032000       0.77157000      -8.23874000      -0.06043260       0.23887791      -1.04407070
Zn      -2.78710000       0.13536000     -11.02947000      -0.48873565       0.27471763       0.15066901
Zn      -1.62613000       0.74877000     -13.75299000      -1.07047082       0.72419039       0.94072225
Zn      -1.25997000       2.64546000     -16.50153000       0.05311622       0.21542266       0.23103160
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.05523988 magmom=2.0001696 free_energy=-65.0555019 stress="-0.010617236083189263 0.020830890562699194 -0.02656610012118834 0.020830890562699194 -0.005966655920385778 0.008778572379228168 -0.02656610012118834 0.008778572379228168 0.0165380350368423" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.37892000       0.13376000      -5.62406000       1.01837253      -2.23836868       2.24354632
O        1.49408000       2.66764000      -1.66214000      -0.69508843       0.07294666      -1.30725604
O       -0.42364000       1.70250000      -4.39211000       0.22296165       0.60282685      -1.00452391
O       -1.95854000       0.93719000      -6.18244000      -0.47372889       0.63581281       0.82396270
O        1.41508000       2.60875000      -7.67803000       2.34897183      -0.46301244       0.05479295
O       -1.31162000       1.03357000     -10.18805000       0.34644449       0.09843551      -1.04181059
O        1.46005000       2.59732000     -13.00751000       0.50890488       1.27508014       0.66417217
O       -1.30219000       0.70285000     -15.80354000      -0.19256134       0.46931765       0.94683594
Zn      -0.21552000       1.71924000      -2.43047000       0.62794980      -0.15185679      -0.16691525
Zn      -1.57092000       0.71262000      -8.25477000      -2.75896431       1.56175938      -1.57400360
Zn      -2.78524000       0.12809000     -11.03838000      -0.94066206      -0.43103141       0.36844437
Zn      -1.71165000       0.85086000     -13.70099000       0.19986055      -1.13189996      -1.26291014
Zn      -1.25927000       2.61905000     -16.56150000      -0.21246070      -0.30000973       1.25566508
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13680882 magmom=1.9998358 free_energy=-65.13688959 stress="-0.017617771538761928 -0.036630326081462695 -0.014513439984156834 -0.036630326081462695 -0.0020234811680008256 -0.003132820673349823 -0.014513439984156834 -0.003132820673349823 0.020427320786679654" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.29195000       0.02190000      -5.63089000      -0.46899241      -0.92365592       2.61934477
O       -0.19144000       0.05550000      -1.70587000       0.23578834      -0.80883148       0.14969226
O       -0.41651000       1.53738000      -4.33005000       0.10083194       0.71023951      -0.67466655
O       -1.98607000       0.92644000      -5.99811000       1.36745171       0.19101844      -0.95594899
O       -1.52224000       2.57422000      -7.71144000      -1.06907644       0.14461339      -0.14865099
O       -1.31073000       0.95297000     -10.24353000       0.44872785       0.35494424      -1.07866365
O       -3.19575000      -0.09476000     -12.94747000      -0.90036136       0.00312716      -0.18570041
O       -1.46890000       0.63557000     -15.80356000       1.31812690       1.17621595       1.24339263
Zn      -0.16619000       1.84845000      -2.36414000      -0.06681604       0.47359837      -1.07282262
Zn      -1.55869000       0.70877000      -8.34825000       0.19873392       0.14304247       0.39133046
Zn      -2.83617000       0.09867000     -11.02735000      -0.69987928      -0.52648779       0.57487990
Zn      -1.80235000       0.91485000     -13.70440000       1.26435341      -0.12513072      -1.15144018
Zn      -1.28994000       2.56523000     -16.57105000      -1.72888852      -0.81269361       0.28925338
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.16237132 magmom=2.0039708 free_energy=-65.16330514 stress="-0.00708443773466901 -0.019402057324041065 -0.0005798554653332263 -0.019402057324041065 -0.003436549247142778 -0.007558130403846173 -0.0005798554653332263 -0.007558130403846173 0.021560354284006288" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39201000       2.67637000      -5.52071000       0.23782746       0.18974704       0.90361621
O       -0.20664000       0.09447000      -1.75915000       1.11508736       0.21125547       0.99573438
O       -0.36536000       1.50732000      -4.41123000       0.65010804       1.60280251       1.40429236
O       -1.84619000       0.87501000      -5.93833000      -0.08045059      -1.55256969      -1.49642819
O       -1.43050000       2.55349000      -7.71138000      -1.32043699       0.11849159      -0.55470021
O       -1.25499000       0.95275000     -10.46536000      -0.97594212       0.21837053       1.48998118
O       -0.00849000       0.05380000     -12.92638000      -0.94248446      -0.63817525      -0.89325167
O       -1.39885000       0.77531000     -15.61879000      -0.07832914      -0.58174900      -1.96209428
Zn      -0.12782000       1.98124000      -2.35670000      -0.86449432      -0.67802972      -1.68031432
Zn      -1.54945000       0.72310000      -8.43287000       0.77204531       0.18673957       0.24614697
Zn      -2.91408000       0.04208000     -10.99507000       0.59434940      -0.41013748      -0.62349681
Zn      -1.82223000       0.95981000     -13.76205000       1.10987134       0.54670762       1.09842327
Zn      -1.39457000       2.48330000     -16.54855000      -0.21715129       0.78654681       1.07209111
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.94722406 magmom=2.0082192 free_energy=-65.95197025 stress="0.0223869822367589 0.015583974953730645 -0.0017887832419929918 0.015583974953730645 0.0021167931025647883 0.01078106368283863 -0.0017887832419929918 0.01078106368283863 0.015737390786173183" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47864000       2.57435000      -5.38545000      -0.15099599      -0.39840150      -0.25506788
O       -0.04721000       0.14521000      -1.64588000      -0.54249314       0.28347933      -0.46134944
O       -0.20361000       1.72164000      -4.31269000       0.37850466      -0.49139082      -0.62298898
O       -1.73319000       0.62179000      -6.04588000       0.05038972       1.10209968       0.36942453
O       -1.62055000       2.56144000      -7.77177000       0.44158122       0.09860201      -0.88601540
O       -1.35992000       0.97008000     -10.39620000      -0.19584796      -0.57886100      -0.22714868
O       -0.20547000       0.05279000     -13.05335000       0.70863024       0.16219439       0.59593250
O       -1.35538000       0.76984000     -15.75001000      -0.75566253      -1.04333117       0.63018155
Zn      -0.12593000       2.06391000      -2.42166000       0.64384004      -0.41671796       0.57635312
Zn      -1.50817000       0.74156000      -8.48718000      -0.56991950      -0.10896008       1.79062688
Zn      -2.96144000      -0.01876000     -11.00117000      -0.25763772       0.50592064      -1.25536984
Zn      -1.78266000       1.01898000     -13.77406000      -0.05579892      -0.42267533      -0.19219734
Zn      -1.49534000       2.45747000     -16.48322000       0.30540989       1.30804181      -0.06238101
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.96254476 magmom=2.0066045 free_energy=-65.96928598 stress="-0.0024095427556996593 0.017361772702756444 -0.002212068796903518 0.017361772702756444 0.0007319884741636097 0.006361863696969008 -0.002212068796903518 0.006361863696969008 0.0018054521533060685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.66552000       2.47107000      -5.34834000       0.60390228       0.67976559      -0.47963585
O       -0.00240000       0.23754000      -1.64807000      -0.50213176      -0.16427601      -0.30262094
O       -0.00615000       1.80859000      -4.34320000      -0.38781622      -1.44101167       0.53722970
O       -1.63656000       0.60155000      -5.96887000      -0.22138039       1.03124702      -0.75403322
O       -1.67773000       2.56703000      -7.89069000       1.35520415      -0.13096256       0.04150717
O       -1.49464000       0.89299000     -10.38275000       0.46758106       0.05280259      -0.72593858
O       -0.22905000       0.06777000     -13.06137000       0.86482933       0.08889195       0.29216848
O       -1.49829000       0.60867000     -15.78334000      -0.82726533       0.70826366       0.84450728
Zn      -0.09799000       2.10789000      -2.44460000       0.56120012      -0.14703514       0.93753859
Zn      -1.50910000       0.75579000      -8.45143000      -1.26282832       0.03318125       0.93670370
Zn      -3.01118000      -0.04888000     -11.06635000      -0.80867503      -0.03716786      -0.38085279
Zn      -1.75192000       1.04810000     -13.78449000      -0.35928349      -0.49905334      -0.30435253
Zn      -1.55564000       2.49080000     -16.42714000       0.51666361      -0.17464549      -0.64222101
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.55062251 magmom=2.1126787 free_energy=-65.55845061 stress="-0.007878031264554077 -0.028668591504640187 -0.0005063265494380631 -0.028668591504640187 -0.01828069991770036 -0.01982189272250302 -0.0005063265494380631 -0.01982189272250302 -0.0005560989396756526" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.56005000       2.41530000      -5.37973000       0.50482193       3.52854720       1.56194490
O       -0.07173000       0.29564000      -1.73448000       0.34737789      -0.54009570       1.05606137
O        0.14043000       1.62303000      -4.35542000      -0.79534578       0.15700473       0.72183953
O       -1.54913000       0.76797000      -5.89396000       0.28127568      -3.38908617      -2.12493474
O       -1.45741000       2.58661000      -7.93356000      -1.34279761       0.04938759       0.28525782
O       -1.53557000       0.81505000     -10.52860000       0.23027194       0.37306517       0.67723481
O       -0.06134000       0.10535000     -13.05143000      -0.43902255      -0.14562208      -1.17291105
O       -1.77727000       0.59080000     -15.65396000       1.81828032       1.04305576      -0.83806172
Zn      -0.03523000       2.14731000      -2.40938000      -0.27985558      -0.06801431      -0.39553893
Zn      -1.57527000       0.76264000      -8.36437000       1.25620901      -0.01851539      -0.80125755
Zn      -3.11083000      -0.08245000     -11.15558000      -0.27103815      -0.35635776       0.88450362
Zn      -1.73646000       1.05081000     -13.80119000       0.43097273       0.01602332       1.20542720
Zn      -1.60884000       2.51964000     -16.40063000      -1.74114985      -0.64939235      -1.05956526
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.94026425 magmom=2.0588493 free_energy=-65.94811338 stress="-0.0055452459202430535 -0.01592737866019921 0.005150560801392515 -0.01592737866019921 -0.0014396854941300117 -0.0014848877702460107 0.005150560801392515 -0.0014848877702460107 0.02363799976752226" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.40521000       2.49308000      -5.37842000      -0.04899270      -1.04449628       0.43871035
O       -0.06678000       0.26020000      -1.64166000       0.83230136       0.16798189       0.11039307
O        0.17549000       1.44186000      -4.28871000       0.10484068       1.00988972      -0.16609156
O       -1.39245000       0.55102000      -6.04291000      -0.38214951       0.77789620       0.32710374
O       -1.51050000       2.60248000      -7.83465000      -0.53275695      -0.06928184      -0.49056598
O       -1.54516000       0.80762000     -10.55952000      -0.75487011       0.09842189       0.61891135
O        0.02681000       0.10238000     -13.24149000      -1.15532510      -0.15380348       1.12602376
O       -1.76122000       0.78529000     -15.71719000       0.18162950      -0.80616296      -0.35332452
Zn       0.02140000       2.18477000      -2.37553000      -0.83851155      -0.78152925      -0.26833341
Zn      -1.58182000       0.77000000      -8.31397000       0.76890063      -0.17640309      -0.74155114
Zn       1.57249000       2.65366000     -11.23688000       0.73905572       0.03099596       0.31978297
Zn      -1.68792000       1.05321000     -13.76051000       1.06675485      -0.17802954      -0.63112320
Zn       1.46112000       2.53531000     -16.41603000       0.01912317       1.12452079      -0.28993544
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.04063494 magmom=2.029976 free_energy=-65.04556181 stress="-0.01751809596122151 0.025980944659656342 0.010249833025150581 0.025980944659656342 -0.01521677156781041 0.003439850069244001 0.010249833025150581 0.003439850069244001 0.013812444403882292" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.24790000       2.54768000      -5.38027000      -1.42827225      -2.41020238       1.31442394
O        0.09622000       0.24857000      -1.57366000      -0.43172126       0.18313694      -1.11925395
O        0.21654000       1.43875000      -4.29305000       0.23857778       0.96769760       0.32496732
O       -1.32160000       0.40112000      -6.00790000       0.39631409       2.29707425      -0.19968455
O       -1.68866000       2.55179000      -7.74484000       1.57999404       0.24699133      -0.88539277
O       -1.69207000       0.81234000     -10.46560000      -0.14583490      -0.43792699      -0.24234114
O       -0.07765000       0.08597000     -13.24759000       0.94022682       0.07966060       0.90351020
O       -1.68347000       0.83653000     -15.86245000      -1.40217099       0.02027711       1.69646572
Zn       0.04171000       2.18518000      -2.34683000       0.40698692      -0.75654139      -0.18534778
Zn      -1.53939000       0.77810000      -8.32132000      -0.96877226      -0.53351654      -0.87942068
Zn       1.46578000       2.59433000     -11.27564000       0.23722756       0.52359793       1.26447700
Zn      -1.59318000       1.04248000     -13.74159000      -1.00232291      -0.40513280      -1.65567106
Zn       1.30407000       2.59644000     -16.44813000       1.57976737       0.22488435      -0.33673225
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.74374075 magmom=2.0054976 free_energy=-65.7501135 stress="0.009608474721290854 -0.0014906748912660206 0.003571677963408715 -0.0014906748912660206 0.005435071993281205 -0.0005171371740440765 0.003571677963408715 -0.0005171371740440765 0.010689175068257244" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.16275000       2.49426000      -5.35746000      -1.93407610       0.32560092       1.07103696
O        0.15842000       0.28462000      -1.72613000      -0.95833826      -0.28858365       1.27797650
O        0.29170000       1.59227000      -4.30272000       0.58244496       0.26892461       0.80846470
O       -1.26748000       0.66156000      -5.82707000       0.79714724      -0.08721380      -1.68406417
O       -1.49610000       2.56809000      -7.75249000      -0.04703662       0.19099831      -0.19050683
O       -1.88009000       0.73094000     -10.40808000       0.52993936       0.01816928      -0.35719474
O       -0.01283000       0.08889000     -13.07314000       0.38319328      -0.13550514      -1.02058645
O       -1.88839000       0.84057000     -15.69545000      -0.30762296       0.16317728      -1.08603051
Zn       0.08388000       2.14009000      -2.32623000       0.63335429      -0.32846341      -1.34105981
Zn      -1.54072000       0.74979000      -8.38512000       0.22210815      -0.30122629      -0.02956867
Zn       1.37148000       2.55904000     -11.23742000      -0.22497428       0.01768951       1.93389017
Zn      -1.54223000       1.00774000     -13.80731000      -0.50533222       0.05736868       0.58726623
Zn      -0.37631000      -0.10225000     -16.47663000       0.82919316       0.09906370       0.03037662
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.33324042 magmom=2.0002812 free_energy=-65.34027383 stress="0.0231503966844053 -0.028568490162554742 -0.0018326908169049724 -0.028568490162554742 -0.006231183922166492 -0.006980978891337971 -0.0018326908169049724 -0.006980978891337971 0.0013464776117646867" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.17177000       2.47789000      -5.29642000       0.00166830       3.28669600       0.57734223
O        0.05255000       0.26042000      -1.68600000       0.60720171      -0.27077982       0.31488713
O        0.43169000       1.81132000      -4.23945000       0.03412494      -0.58955446      -0.26428251
O       -1.12714000       0.83300000      -5.86768000      -0.36004427      -2.76947510      -1.03870285
O       -1.32392000       2.58513000      -7.72614000      -1.52614518      -0.71862678      -0.47393615
O       -1.94736000       0.65560000     -10.42048000       0.57260943       0.34904776       0.16007756
O       -3.08525000       0.04006000     -13.06185000      -0.85118430      -0.24559606      -0.04955820
O       -2.17890000       0.91678000     -15.71276000       1.43083042       0.58263328      -0.52274416
Zn       0.14916000       2.08151000      -2.35845000      -0.81399537       0.08162295      -0.10177452
Zn      -1.52486000       0.71498000      -8.46140000       1.37170624       0.75388655       0.63035729
Zn       1.27177000       2.52913000     -11.11425000       0.09092436      -0.04949105      -0.49927387
Zn      -1.52148000       0.97716000     -13.84858000       0.21288100      -0.05149730       0.61404925
Zn      -0.40369000      -0.01925000     -16.51658000      -0.77057727      -0.35886597       0.65355879
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31764988 magmom=2.0139913 free_energy=-65.32330166 stress="0.02682467941551928 -0.0067689821017265965 0.0026850893242044245 -0.0067689821017265965 -0.003960697133897412 0.00807150974624932 0.0026850893242044245 0.00807150974624932 -0.0007010346833292152" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.18106000       2.60136000      -5.27501000       1.57174668       0.10755038      -0.83351904
O        0.07518000       0.18021000      -1.62543000       0.67047962       0.16510524      -0.90600644
O        0.55390000       1.90710000      -4.25911000      -0.94407165      -1.61177047       0.29412080
O       -1.09770000       0.64374000      -5.95428000      -1.09607948       1.48258733       0.02611202
O       -1.43310000       2.47999000      -7.74370000       0.10503242       0.70343916      -1.29393302
O       -1.90685000       0.66151000     -10.40752000      -0.65220061       0.14876153       0.05846445
O       -3.12227000      -0.03629000     -13.09367000      -0.43434509       0.23588317       0.37719934
O       -2.14731000       1.07746000     -15.86714000       0.94213046      -1.00129192       1.19210329
Zn       0.16789000       2.03105000      -2.38874000      -0.71347046      -0.22107051       0.64424940
Zn      -1.44645000       0.71243000      -8.49281000      -0.06362228      -0.65820339       1.67560166
Zn       1.19296000       2.49859000     -11.02206000       1.25850363       0.02940230      -1.47054909
Zn      -1.49513000       0.94479000     -13.84591000      -0.35830005      -0.33656680      -0.13415252
Zn      -0.46551000       0.04463000     -16.50890000      -0.28580318       0.95617396       0.37030913
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.10934399 magmom=2.0547729 free_energy=-65.11580257 stress="-0.015732431507716083 0.03255798770422303 0.015971845942442053 0.03255798770422303 -0.028274297147951495 -0.002648918880042617 0.015971845942442053 -0.002648918880042617 0.004683561557809495" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.74355000      -0.03123000      -5.34589000      -1.37202285      -2.23097538       1.48165448
O       -2.96894000       0.10672000      -1.75946000      -1.19766527       0.07761248       1.19173603
O        0.54525000       1.68544000      -4.32639000      -0.68277109       0.80898268       0.42290638
O       -1.22977000       0.72540000      -5.89737000       1.69113315       1.48096146      -1.88127285
O       -1.52226000       2.49152000      -7.96165000       1.62748407       0.01175865       0.49430011
O       -1.97602000       0.69002000     -10.36836000      -0.04292725      -0.62046227      -0.13321526
O       -0.06649000      -0.08184000     -13.04518000       0.55190066      -0.09072141       0.04579607
O       -1.86899000       1.11415000     -15.79868000      -2.19561597       1.07199534       0.71833794
Zn       0.14754000       1.95797000      -2.37987000       0.80725045      -0.18142009      -0.60266704
Zn      -1.35116000       0.67798000      -8.43743000      -1.72146874       0.11076373       0.04488255
Zn       1.16906000       2.46920000     -11.00199000       0.63360741       0.75059852      -1.00326070
Zn      -1.48622000       0.88824000     -13.84207000      -0.99759171       0.16126343       0.66657509
Zn      -0.55427000       0.15856000     -16.47492000       2.89868714      -1.35035714      -1.44577278
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.09817818 magmom=2.0188597 free_energy=-65.10599656 stress="0.013116910013021206 -0.0053658342834308325 0.0004008294414378213 -0.0053658342834308325 -0.009783846497630783 -0.009173775880377644 0.0004008294414378213 -0.009173775880377644 -0.0003649830252222839" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.74974000       0.05314000      -5.42873000      -0.25945545      -1.03820647       0.57036878
O       -3.00535000       0.04235000      -1.70439000      -0.67799641      -0.22257937       1.01888053
O        0.37614000       1.54090000      -4.32440000       0.13460116       2.55623644       1.00586796
O       -1.17113000       1.03102000      -6.04561000      -0.06393134      -1.77954106      -1.22429306
O       -1.28320000       2.53841000      -8.07594000      -1.05834231      -0.38686840       0.69072330
O       -2.06168000       0.61723000     -10.36149000       0.86167533       0.25641999      -0.20283754
O        1.46461000       2.63612000     -13.00593000       0.65124676       0.06703769      -0.09838140
O       -1.93162000       1.27451000     -15.62385000      -0.43707100      -0.52709036      -1.39738836
Zn       0.15894000       1.86318000      -2.38860000       0.31807654       0.23962044      -0.54909668
Zn      -1.32494000       0.63761000      -8.36541000       0.58961632       0.73203415      -0.55782427
Zn       1.18132000       2.47002000     -11.03838000      -0.10626594      -0.01511841      -0.21143622
Zn      -1.53246000       0.82639000     -13.79204000      -0.88164395       0.05009810       0.82961056
Zn      -0.52202000       0.24842000     -16.49447000       0.92949029       0.06795727       0.12580642
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.10145484 magmom=2.0623693 free_energy=-65.10900443 stress="0.029356857633158144 -0.017964829530235024 -0.0019465961115090564 -0.017964829530235024 0.0008145538969032995 -0.007348871907843033 -0.0019465961115090564 -0.007348871907843033 -0.0030163353073938454" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.78406000       0.09347000      -5.49653000       0.35348391      -0.39842386       1.45453612
O       -1.59079000       2.74086000      -1.53398000       0.73094913       0.06397477      -1.75907279
O        0.21629000       1.75100000      -4.29615000       0.50019766       0.77587942      -1.54431744
O       -1.08834000       1.04460000      -6.25503000      -1.07951400      -1.12142430       1.27556677
O       -1.21321000       2.48394000      -7.95707000      -0.95213508       0.79087091      -0.56788682
O       -1.97252000       0.58868000     -10.40317000       0.20962085       0.43681809       0.36551835
O        1.53547000       2.58688000     -12.99919000       0.05322061       0.54069624      -0.40386372
O       -2.16405000       1.36201000     -15.66635000       0.66290320      -1.08133775       0.32965387
Zn       0.19042000       1.77374000      -2.40594000      -0.50393619      -0.09965590       0.62407550
Zn      -1.27998000       0.64442000      -8.33976000       0.52544843      -0.09954171      -1.07421791
Zn       1.19446000       2.47445000     -11.08511000       0.45962687      -0.28260219       0.38219064
Zn      -1.62997000       0.76662000     -13.70078000      -0.46785419      -0.18933442      -0.80923888
Zn      -0.42161000       0.33261000     -16.50562000      -0.49201121       0.66408068       1.72705631
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95209481 magmom=2.0005183 free_energy=-64.9530562 stress="-0.02515122442610542 -0.019587428859328918 -0.011467556099293195 -0.019587428859328918 -0.0025391819523422174 0.018558519225647663 -0.011467556099293195 0.018558519225647663 0.024100353131304413" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.80891000       0.10348000      -5.54154000      -1.08816885      -1.71168154       0.54212847
O       -1.61635000       2.68460000      -1.66855000       0.85915920       0.44305793       0.08671846
O        0.19385000       2.04283000      -4.53169000       1.11462506      -1.32080370       1.94899336
O       -1.21411000       0.83540000      -6.07989000      -0.41655116       2.28919220      -1.20710700
O       -1.36019000       2.55604000      -7.79119000       1.66928995      -0.23427000       0.02914038
O       -1.83240000       0.66158000     -10.36897000      -0.38766407       0.01740363       0.09392311
O       -1.63380000       2.61702000     -13.06571000      -1.45031912      -0.57345719       0.38487267
O       -2.17829000       1.26408000     -15.67340000       2.18779324       0.69293482       0.47557559
Zn       0.18915000       1.68949000      -2.39241000      -0.99007391       0.10747392      -0.97857121
Zn      -1.21006000       0.66597000      -8.38626000      -1.72811855       0.74775922      -0.46666308
Zn       1.23120000       2.46511000     -11.11158000       0.92678394       0.09439228       0.40827835
Zn      -1.73703000       0.70946000     -13.65555000       1.05256875       0.81761384      -1.16249240
Zn      -0.36390000       0.42670000     -16.43959000      -1.74932447      -1.36961540      -0.15479670
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.2858366 magmom=1.969105 free_energy=-65.28798297 stress="0.012698702456312863 0.0017385436435897845 0.01073477251928204 0.0017385436435897845 -0.013610101406367994 0.01643371929672337 0.01073477251928204 0.01643371929672337 0.02851338519544075" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.88699000       0.02686000      -5.56984000      -0.95582553       0.37623296       1.69407823
O       -1.47801000       2.67299000      -1.80235000      -0.20064932      -0.67518411       1.51848655
O        0.32039000       2.05280000      -4.46203000      -0.33014767      -0.72066117       0.36639191
O       -1.36011000       0.99335000      -6.00275000       1.24652485      -0.48558756      -0.96718182
O       -1.23621000       2.65191000      -7.62193000      -0.26996272       0.24849544      -1.63414723
O       -1.78007000       0.72290000     -10.31506000      -0.24210487      -0.58546741      -0.69050929
O        1.38519000       2.58299000     -13.05499000       0.31898301       0.09090385       0.17899252
O       -1.83476000       1.26681000     -15.61988000      -1.44441958       0.39458091      -0.05661243
Zn       0.14384000       1.63182000      -2.42325000       0.08408490       1.35066124      -1.18267936
Zn      -1.21934000       0.71090000      -8.45158000      -0.05583516       0.36627247       1.76065759
Zn       1.31020000       2.46398000     -11.11376000       0.43822871       0.63546760       0.65707173
Zn      -1.79341000       0.69199000     -13.67374000      -0.35647198       0.27626695      -0.59091951
Zn      -0.37795000       0.45172000     -16.37334000       1.76759537      -1.27198117      -1.05362889
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.41604308 magmom=2.000692 free_energy=-65.41612341 stress="0.019346406174946477 0.008492447613675727 0.006302073453648539 0.008492447613675727 0.009649623368165428 0.0012850014993802611 0.006302073453648539 0.0012850014993802611 0.01918958256590234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.00615000      -0.01278000      -5.51934000       1.61353245       1.50945471       0.93931188
O       -1.39493000       2.57757000      -1.66079000      -0.79466105       0.67811644       0.37875724
O        0.38757000       1.88353000      -4.35946000      -0.53859635      -0.00244886      -1.20895632
O       -1.29273000       1.02648000      -6.08017000      -0.62087152      -1.77140630      -0.05125538
O       -2.76891000      -0.01070000      -7.66030000      -1.51046314      -0.62090701      -0.77669503
O       -1.78424000       0.66698000     -10.35000000       0.09916418      -0.02817616      -0.03723142
O        1.23659000       2.54243000     -12.99741000       0.76496303       0.29423903      -0.42004886
O       -1.76448000       1.36142000     -15.59200000      -0.76273841      -0.50839503      -0.38210723
Zn       0.10468000       1.63566000      -2.49147000       0.57468988      -0.05368551       1.03188210
Zn      -1.23774000       0.77886000      -8.44776000       0.65149434       0.70055564       0.85043869
Zn       1.41051000       2.49431000     -11.08766000       0.16636350       0.18190378       0.53004479
Zn      -1.85742000       0.69606000     -13.72569000      -0.67004284       0.06806474       0.11060519
Zn      -0.31186000       0.40331000     -16.36231000       1.02716594      -0.44731548      -0.96474564
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.28551531 magmom=2.0341867 free_energy=-65.29241547 stress="-0.007718795355923347 0.004992803094334105 -0.005704344091250393 0.004992803094334105 0.00858976908121914 0.0019989732894746784 -0.005704344091250393 0.0019989732894746784 0.007296130100914278" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.03861000       0.02335000      -5.43596000       1.94687814      -2.58997316      -0.20740153
O       -1.46763000       2.59386000      -1.48444000      -0.12170576       0.13744028      -2.43726246
O        0.34417000       1.71188000      -4.47922000      -0.71052908       0.74656389       1.71407534
O       -1.33813000       0.71975000      -6.08519000      -1.36218477       1.99843978      -0.73041114
O       -2.94916000      -0.00122000      -7.85603000       1.16045047      -0.92263339      -0.06906411
O       -1.74756000       0.60984000     -10.38297000       0.84029894       0.78126432       0.45625741
O        1.25464000       2.57021000     -13.01580000       0.14445382       0.29294004      -0.10104627
O       -1.91424000       1.35105000     -15.62826000       0.48058998      -1.17533827      -0.23320697
Zn       0.09338000       1.64715000      -2.50800000       0.25277575       0.10270054       1.30246771
Zn      -1.23786000       0.88814000      -8.39995000      -1.57813136       0.50755631      -0.15980967
Zn      -1.69578000       2.52793000     -11.04068000      -0.61102007      -0.48608757      -0.49822030
Zn      -1.96064000       0.70474000     -13.77455000       0.07808450       0.01447017       0.58016639
Zn      -0.17414000       0.32450000     -16.40420000      -0.51996057       0.59265707       0.38345560
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.60046009 magmom=2.0195792 free_energy=-65.6063398 stress="-0.006226969218299057 -0.022394506794191266 0.0032809632419771736 -0.022394506794191266 -0.024836276358926636 -0.0053160534484313965 0.0032809632419771736 -0.0053160534484313965 0.010561905198410946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.39761000       2.73382000      -5.42822000      -1.51296490      -2.06879766       0.86295638
O       -1.58563000       2.65603000      -1.76510000       0.27831751      -0.17844208       0.74325598
O        0.17629000       1.65345000      -4.39448000      -0.16450306       0.77980581      -0.07151295
O       -1.49683000       0.70805000      -6.05552000       1.82023005       1.52384876      -0.91558056
O       -1.38528000       2.69923000      -7.97767000       0.04513146       2.54856869       0.62607534
O       -1.56439000       0.70583000     -10.33898000      -0.28876564       0.10744877      -0.38566103
O        1.29220000       2.64463000     -13.06746000      -0.87444269      -0.54786593       0.44979589
O       -1.90216000       1.14065000     -15.73240000       2.09449219       0.78272447       0.31183699
Zn       0.09537000       1.66464000      -2.44389000      -0.36670660       0.49359516       0.09455272
Zn      -1.30033000       0.99914000      -8.37061000      -0.44462512      -2.87329077      -0.30567132
Zn      -1.61063000       2.54771000     -11.01328000       0.21233956       0.10178049      -0.57205894
Zn      -2.05549000       0.71886000     -13.78864000       1.23666707       0.73367876       0.24167888
Zn      -0.07435000       0.25767000     -16.43932000      -2.03516984      -1.40305446      -1.07966740
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.62087153 magmom=2.004918 free_energy=-65.62399629 stress="-0.007588578526335716 -0.0005443228721965384 -0.002586174143479301 -0.0005443228721965384 -0.021095256222827544 -0.004887125176055996 -0.002586174143479301 -0.004887125176055996 0.022238133971902233" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.40817000       2.58143000      -5.40834000      -1.04144796       2.44040412       0.73497081
O       -1.61724000       2.67569000      -1.94870000       0.85406980      -0.16071710       2.01728951
O       -0.01099000       1.72465000      -4.35732000       1.27930137      -0.07360569      -0.10008036
O       -1.43533000       0.88732000      -6.02406000      -0.16484394      -1.99220201      -0.80324881
O       -2.97141000       0.15743000      -7.87219000      -0.55169275      -1.17049563       0.02235562
O       -1.43817000       0.81426000     -10.37005000      -0.55514087      -0.69471376      -0.08818010
O        1.18219000       2.62744000     -13.06488000       0.09009107       0.02666722      -0.14669519
O       -1.55854000       1.03983000     -15.81663000      -1.23167469       0.17722995       0.21724824
Zn       0.07537000       1.70597000      -2.36873000      -0.85861954       0.48049649      -0.98857064
Zn      -1.39144000       1.00232000      -8.36492000       0.39656217       0.62587920       0.11317149
Zn      -1.52506000       2.57307000     -11.01730000       0.25248256       0.88394485      -0.56621640
Zn      -2.08698000       0.76387000     -13.78067000       0.61397169       0.12998810       0.07439536
Zn      -0.06222000       0.13979000     -16.50532000       0.91694109      -0.67287573      -0.48643953
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.73989187 magmom=2.0053674 free_energy=-65.74276878 stress="0.0029887702690412398 0.016056204700549827 0.00031000577810952914 0.016056204700549827 -0.0027387060658824462 -0.006653404351061668 0.00031000577810952914 -0.006653404351061668 0.018214111728473925" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.46559000       2.54680000      -5.39148000      -0.31217581       2.00851438      -0.13183480
O       -1.50859000       2.66919000      -1.74096000      -0.74861152       0.40222414      -0.86399329
O        0.04151000       1.81068000      -4.38725000       0.95058718      -0.75360523       1.05188685
O       -1.41925000       0.79751000      -5.99880000      -0.71503338      -0.65049792      -0.29726702
O       -3.06012000       0.17351000      -7.72169000       0.05737489      -1.16961011      -0.75236956
O       -1.44795000       0.78745000     -10.41972000      -0.09718822       0.16298641       0.56903545
O        1.09690000       2.61586000     -13.08191000       0.75055117       0.48708059       0.30230984
O       -1.46840000       0.99924000     -15.84686000      -1.06068805      -0.46249064       0.59151024
Zn       0.02389000       1.76562000      -2.34633000       0.79470243      -0.30308240      -0.96327906
Zn      -1.45658000       1.02033000      -8.36537000       0.02886712       0.34576493       0.19376594
Zn      -1.43780000       2.63587000     -11.05133000      -0.36248847       0.05412788      -0.70895911
Zn      -2.07856000       0.81105000     -13.76959000       0.12911046      -0.39866398      -0.60844908
Zn      -0.01608000      -0.00241000     -16.58051000       0.58499221       0.27725195       1.61764361
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.71776601 magmom=2.0008329 free_energy=-65.7183773 stress="0.00959548935517709 0.002870535963571589 0.006024917000211916 0.002870535963571589 0.0013616174844136137 -0.00513082345184599 0.006024917000211916 -0.00513082345184599 0.01256480293661267" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.54353000       2.61667000      -5.42206000       0.22425606      -0.81360960       0.69666374
O       -1.52518000       2.74306000      -1.72726000      -0.65782451       0.18394966      -0.52499967
O        0.27830000       1.78126000      -4.26697000      -0.78491300      -0.71190028      -0.66235042
O       -1.54605000       0.62796000      -5.92090000       0.46068724       1.89939632      -0.76486677
O       -1.57732000       2.71478000      -7.63784000       0.17614992       1.63786115      -0.04513715
O       -1.46867000       0.78813000     -10.34844000       0.57384611       0.58779806       0.08493435
O       -0.42341000      -0.08394000     -13.03022000       0.36492774      -0.04862929       0.11017953
O       -1.64693000       0.86295000     -15.75663000       0.23538722      -0.40001611      -0.09352463
Zn       0.00398000       1.81894000      -2.37223000       0.62003451      -0.13439921      -0.20908125
Zn      -1.51963000       1.05338000      -8.36558000      -0.06548146      -2.10951024      -0.01339266
Zn      -2.96945000      -0.07858000     -11.10994000      -1.02122027      -0.47886297      -0.00643653
Zn      -2.05828000       0.84334000     -13.78660000       0.30997030       0.04320170      -0.21157430
Zn      -1.54060000       2.63293000     -16.58190000      -0.43581987       0.34472082       1.63958578
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.1955614 magmom=1.9689669 free_energy=-65.19748272 stress="-0.0063627389812427855 -0.007427571839150882 0.008627833929506307 -0.007427571839150882 0.00778125106692357 -0.015389589181302827 0.008627833929506307 -0.015389589181302827 0.004626690992593967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.62198000       2.66396000      -5.45475000       0.77746761      -0.25494994       0.64287716
O       -0.04878000       0.05480000      -1.81896000       0.69408547      -0.54500947       2.04338083
O        0.39338000       1.61694000      -4.28764000      -1.46732643       0.36287096      -0.00002634
O       -1.58964000       0.76577000      -5.88821000       0.50569861       0.16430730      -1.08246889
O       -0.02956000      -0.05224000      -7.48963000       0.35110822       0.44161847      -1.21078049
O       -1.38670000       0.90796000     -10.27816000      -0.13148847       0.00557136      -1.23335590
O       -0.27137000      -0.00067000     -12.99668000      -0.79786688      -0.57130227      -0.94038085
O       -1.74728000       0.65714000     -15.67648000       1.85147972       1.02384523      -0.45510802
Zn       0.01205000       1.87212000      -2.41567000      -0.67366307       0.36253015      -0.52084712
Zn      -1.59180000       0.99115000      -8.36155000      -0.07449299      -0.71349730       1.24586851
Zn      -2.94532000      -0.02333000     -11.18273000      -0.05504892      -0.05494198       2.06910238
Zn      -2.01613000       0.88029000     -13.81139000       0.88677091       0.54571033       0.88222449
Zn      -1.48052000       2.49309000     -16.46985000      -1.86672379      -0.76675284      -1.44048576
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.50006891 magmom=2.0006297 free_energy=-65.50011713 stress="0.003175787946187462 0.011727749060910527 0.003760099530719604 0.011727749060910527 0.00397973356821061 -0.008599426349836799 0.003760099530719604 -0.008599426349836799 0.026951493218293755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54257000       2.71427000      -5.47436000       1.96191023       0.35050722       0.26597756
O       -0.06390000       0.05025000      -1.58161000       0.42649459      -0.02094372      -1.11131454
O        0.22905000       1.53792000      -4.37638000      -0.69258323       1.36457058       0.75856305
O       -1.49951000       0.92324000      -5.99872000      -1.51748052      -1.01491014      -0.37102114
O       -0.01280000       0.09164000      -7.52325000      -0.10200306      -1.14476990      -1.39360154
O       -1.32726000       1.03235000     -10.38639000      -0.41651320      -0.55529776       0.44459118
O       -0.25817000      -0.02668000     -13.10588000       0.07902233       0.24693356       0.54423141
O       -1.50621000       0.59657000     -15.70952000      -0.27366059      -0.88823801       0.29994370
Zn      -0.01033000       1.94163000      -2.47028000      -0.32258932      -0.21410633       0.95727978
Zn      -1.66664000       0.87550000      -8.31766000       0.59834492       0.68194339      -0.16090819
Zn      -2.93126000       0.03039000     -11.16583000      -0.18082322       0.38493985       0.43122958
Zn      -1.92525000       0.94346000     -13.79753000       0.47616756      -0.39743367      -0.20347801
Zn      -1.50641000       2.32574000     -16.41182000      -0.03628650       1.20680493      -0.46149283
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.78260408 magmom=2.0220336 free_energy=-65.78637046 stress="-0.004001350179981356 0.011318970545797145 0.004959292194659891 0.011318970545797145 0.011846528075364612 -0.0041691011111276354 0.004959292194659891 -0.0041691011111276354 0.03186027199954509" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02168000      -0.00627000      -5.48902000       0.17854028      -0.69545679       0.86571964
O        0.02137000       0.03405000      -1.55682000      -0.31672232       0.11725711      -1.09441050
O       -0.07777000       1.70531000      -4.38030000       0.25917008       0.71886422      -0.64687963
O       -1.60853000       0.88891000      -6.08897000      -0.51246872       0.06678239       0.03857600
O       -0.04203000      -0.02248000      -7.76182000      -0.57101976      -0.88484441       0.04528397
O       -1.35631000       1.04305000     -10.41648000      -0.17122281      -0.22128715       0.45186946
O       -0.23554000      -0.00531000     -13.11436000       0.74029699       0.40696422       0.75826589
O       -1.32682000       0.43291000     -15.69294000      -1.77621208       0.49685867       0.58709683
Zn      -0.05047000       1.99940000      -2.47163000       0.41384480      -0.35890601       1.20788278
Zn      -1.69917000       0.80251000      -8.29089000       0.94565248       1.03008830      -1.14609573
Zn      -2.92798000       0.09918000     -11.11789000      -0.44674169      -0.02213156      -0.04053624
Zn      -1.81014000       0.98416000     -13.78864000      -0.01172906      -0.74156482      -0.25232939
Zn      -1.53604000       2.20878000     -16.38636000       1.26861182       0.08737582      -0.77444308
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35135909 magmom=1.9997863 free_energy=-65.35296518 stress="-0.017913736673843744 5.1972834279919606e-05 0.0024097451990481578 5.1972834279919606e-05 -0.0037258890078044516 0.00607952159802231 0.0024097451990481578 0.00607952159802231 0.015402414895854658" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00784000       0.02575000      -5.51156000      -3.73032672      -0.64908479       0.65055933
O        0.00414000       0.06554000      -1.75937000      -0.87355276       0.43876663       1.31236253
O       -0.29793000       1.96959000      -4.48737000       1.69338664      -1.16912114       1.59078181
O       -1.77212000       0.87271000      -6.08219000       2.13188926       1.30146118      -1.29453948
O        1.44215000       2.53246000      -7.89427000       0.65890227       2.06489426       0.58367255
O       -1.41384000       1.00505000     -10.34184000       0.37199590       0.38803679      -0.27145949
O       -0.07145000       0.08932000     -12.99720000       0.02780358      -0.39772418      -0.82717712
O       -1.48660000       0.32000000     -15.61565000      -0.23646099      -0.10209966      -1.09766093
Zn      -0.06066000       2.02866000      -2.41522000       0.77751479      -0.79073005      -1.06309501
Zn      -1.68570000       0.77379000      -8.33873000      -0.34000505      -1.35853315      -0.74838627
Zn      -2.95041000       0.16105000     -11.07108000      -0.70125670      -0.61893717       0.56748939
Zn      -1.70168000       0.98677000     -13.78170000       0.16447482       0.15032299       1.20628466
Zn      -1.50898000       2.12086000     -16.39480000       0.05563495       0.74274830      -0.60883196
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.68367935 magmom=1.9998098 free_energy=-65.68388933 stress="-0.009713834871856345 -0.01742230858172313 -0.011857793331495354 -0.01742230858172313 0.01115406309017089 0.00594447188053738 -0.011857793331495354 0.00594447188053738 0.030495757936851806" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11268000       0.02854000      -5.52889000      -0.12022191       0.84421538       0.66634994
O       -0.15447000       0.17932000      -1.72228000       0.96566357      -0.34874752       0.89229279
O       -0.25447000       2.04813000      -4.40518000       0.70037049      -0.48713881      -0.41682224
O       -1.69583000       1.01096000      -6.14057000      -0.47762861      -0.95560632       0.23659422
O        1.49201000       2.65974000      -7.80364000       0.42099779      -0.03543910      -0.28202102
O       -1.40369000       1.05309000     -10.33064000      -0.13421368       0.39766778      -0.59131061
O        0.10209000       0.09715000     -13.01953000      -0.67481395      -0.43941161       0.16021097
O       -1.69696000       0.24151000     -15.72324000       1.78429818       1.12446888       0.73607156
Zn      -0.03992000       2.01642000      -2.39853000      -0.90203246      -0.05794675      -0.61628600
Zn      -1.69401000       0.69838000      -8.43506000      -0.29410600       0.72815241       0.91298653
Zn      -3.01170000       0.18909000     -10.99957000      -0.10284738      -0.56696790      -0.36924220
Zn      -1.58046000       0.99269000     -13.72113000       0.59408908      -0.03608738      -0.37497143
Zn      -1.48167000       2.06583000     -16.44148000      -1.75955512      -0.16715907      -0.95385250
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.00869104 magmom=2.0371837 free_energy=-65.01178815 stress="-0.0017445462964029291 0.0064466260809889365 -0.0033760832044217033 0.0064466260809889365 -0.003400932356183836 0.02013886562886488 -0.0033760832044217033 0.02013886562886488 0.03796053123009096" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.26372000       0.06637000      -5.54160000       2.82054097       0.53955180       1.34018165
O       -0.15663000       0.23057000      -1.51268000       0.35442015      -0.48707089      -1.44908269
O       -0.04125000       2.00828000      -4.39086000      -0.58129154      -0.28669724      -0.14355469
O       -1.69230000       1.03932000      -6.07082000      -1.77154956      -0.31383349      -0.42345763
O       -0.01245000       0.06920000      -7.65656000      -1.57327500      -0.81608644      -1.00219606
O       -1.42379000       1.18202000     -10.41577000      -0.51915209      -0.88174214       0.83531959
O       -3.04680000       0.01379000     -13.02694000       0.11777730       0.45744085       0.86322292
O       -1.60338000       0.33488000     -15.73816000       0.26195521      -0.62141280       0.76585857
Zn      -0.05636000       1.99774000      -2.40866000      -0.20636501       0.37868021       0.23802315
Zn      -1.70818000       0.64311000      -8.50974000       1.19562216       1.12886997       1.05973381
Zn       0.12664000       0.19801000     -10.93935000       0.39137829       0.45483364      -1.68209095
Zn      -1.41236000       0.99326000     -13.66623000      -0.27983742      -0.77615109      -1.11030096
Zn      -1.53212000       2.01365000     -16.53634000      -0.21022345       1.22361763       0.70834329
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.87778569 magmom=2.0009715 free_energy=-64.87796677 stress="-0.017617376513649353 0.01443184110903736 -0.0016811268214955595 0.01443184110903736 0.02028002969721027 0.012772603160182127 -0.0016811268214955595 0.012772603160182127 0.00610636078631263" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.29679000       0.14548000      -5.51513000       0.59102048      -0.96550827       0.11091458
O       -0.05297000       0.17026000      -1.60081000      -0.04342856      -0.34712411      -0.67082161
O        0.07993000       1.91081000      -4.41146000      -1.72719508       0.22731877       1.66582472
O       -1.91965000       0.97552000      -5.96815000       1.55854004       0.73136452      -1.45169122
O       -0.17540000       0.10824000      -7.66203000       1.21738535      -0.90761012       0.09784480
O       -1.56093000       1.15587000     -10.34124000       0.12117074      -0.12008283      -0.20619959
O       -2.95520000      -0.00137000     -12.85135000       0.54223230      -0.15417067      -1.12361049
O       -1.37861000       0.37341000     -15.59109000      -0.28304860       0.00852393      -0.75563203
Zn      -0.09134000       1.99779000      -2.40993000       0.19478537       0.19639507      -0.61035468
Zn      -1.67660000       0.64772000      -8.53014000      -1.52868789       0.88793209       1.59922322
Zn       0.05789000       0.21802000     -10.96958000      -0.17869328       0.06654448      -0.20068725
Zn      -1.23318000       0.95521000     -13.66750000      -0.64173725      -0.11675587      -0.23711671
Zn      -1.61623000       2.00947000     -16.59859000       0.17765639       0.49317303       1.78230626
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.89370813 magmom=2.0002638 free_energy=-64.89410232 stress="-0.01737885616886415 0.01545045281439673 0.000997693743154138 0.01545045281439673 0.02868891993134244 -0.005777387423977071 0.000997693743154138 -0.005777387423977071 0.002387487490667546" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.29526000       0.18620000      -5.49009000       0.55783846      -1.61273928       1.14070982
O        0.00310000       0.05103000      -1.82992000      -1.58608726       0.56899316       2.27181070
O       -0.09099000       1.84236000      -4.25019000      -0.35170562       0.27247082      -2.98815660
O       -1.89130000       1.00924000      -6.03955000       0.31327551       0.62046622       0.01725573
O        1.44252000       2.72712000      -7.65463000       0.23718285      -0.02619653      -0.72188512
O       -1.68736000       1.07504000     -10.29634000       0.67557982       0.57789537      -0.81348720
O       -2.72412000      -0.03842000     -12.87791000       0.13541702      -0.19112828      -0.73355008
O       -1.19600000       0.40945000     -15.57405000      -0.91055951       0.80299397      -0.79097876
Zn      -0.11002000       2.00169000      -2.43370000       1.49143211      -0.87869540       0.34830924
Zn      -1.70806000       0.70762000      -8.45562000      -0.53186672       0.58565568       1.91724426
Zn      -0.03281000       0.24831000     -11.02539000      -0.52869000      -0.62918083       0.15888517
Zn      -1.06367000       0.89959000     -13.68656000      -0.34670246       0.04725582       0.23493527
Zn      -1.69923000       2.03788000     -16.57547000       0.84488580      -0.13779073      -0.04109243
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.02169518 magmom=2.0036307 free_energy=-65.02317849 stress="4.5586465968733725e-05 -0.0005166913992207968 -0.017812257574792344 -0.0005166913992207968 -0.027028318006773404 -0.0018790101483922492 -0.017812257574792344 -0.0018790101483922492 0.02002659390571979" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.27401000       0.14135000      -5.44531000       1.34850466      -1.09446177      -0.26194574
O       -0.16442000       0.01459000      -1.68279000       0.90568605       0.40730060      -0.50376311
O       -0.33094000       1.85448000      -4.50565000       0.93472522       1.32049282       1.97478407
O       -1.74993000       1.08001000      -6.04446000      -1.89266476      -1.32167601      -0.36908285
O       -1.67528000       2.57960000      -7.69182000      -0.82432809       1.79803294      -0.77560185
O       -1.69766000       1.11000000     -10.39130000      -0.33195813       0.20073427       0.55122551
O       -0.88384000       2.67783000     -13.08519000      -0.85305447       0.20395086       0.90376052
O       -1.19478000       0.58524000     -15.70915000      -0.04502478      -0.80100273       0.90297396
Zn      -0.07590000       1.96713000      -2.45652000      -0.92885904      -0.63763137      -0.44467951
Zn      -1.77403000       0.79384000      -8.30193000       0.59168793      -0.40314306      -0.54838831
Zn      -0.13946000       0.24629000     -11.07077000       0.84520886      -0.65874944      -0.30866928
Zn      -0.91641000       0.84625000     -13.70010000       0.10954038      -0.17526157      -0.80671811
Zn      -1.74000000       2.06631000     -16.54465000       0.14053617       1.16141446      -0.31389531
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.4171663 magmom=2.0244129 free_energy=-65.421681 stress="-0.005264333027022036 -0.0016228034014762727 -0.003505835434794531 -0.0016228034014762727 -0.007620383209626224 0.00936944786555707 -0.003505835434794531 0.00936944786555707 0.0218869157150043" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.20902000       0.05858000      -5.45788000      -1.51469954      -0.32611203       0.71027654
O       -0.16410000       0.06525000      -1.65439000       0.49032996      -0.14435981      -0.77418866
O       -0.33200000       2.00739000      -4.45875000       0.76272910      -0.86536401       1.01464628
O       -1.89376000       0.93258000      -5.99658000       1.11632101       1.04315580      -1.08465366
O       -0.16891000      -0.01534000      -7.75318000      -0.44393924      -0.43852535       0.33721446
O       -1.74597000       1.16893000     -10.37470000      -0.13258995      -0.42428922       0.18528069
O       -0.85055000       2.65465000     -13.06905000      -0.28540657      -0.00555713       0.66535379
O       -1.23297000       0.59930000     -15.66543000      -0.51759368      -0.00300319       0.28216343
Zn      -0.08230000       1.91031000      -2.48461000      -0.52181573       0.01098198       0.17389241
Zn      -1.79447000       0.85389000      -8.21274000       0.25723220       0.75090777      -1.40151091
Zn      -0.18615000       0.21398000     -11.11788000       0.63086050      -0.03314970       0.33627991
Zn      -0.80244000       0.79840000     -13.74441000      -0.45050445       0.14756627      -0.29621153
Zn      -1.75729000       2.13754000     -16.53275000       0.60907640       0.28774860      -0.14854276
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.26846535 magmom=2.0040225 free_energy=-65.27020789 stress="0.015140284994227274 0.010189645784400651 0.00264717060837042 0.010189645784400651 0.007818512795265475 0.0012971806372772158 0.00264717060837042 0.0012971806372772158 0.017278672526239377" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38837000       2.74507000      -5.48706000      -0.77829159       1.06287666       1.25513035
O       -0.04701000       0.07162000      -1.77913000      -0.38084047      -0.79921135       1.45329268
O       -0.17329000       2.03962000      -4.30822000      -0.26667621      -0.47026010      -2.23417408
O       -1.89788000       0.93093000      -6.03640000       0.94055374      -0.09764728      -0.03728830
O       -0.29854000       0.09360000      -7.65202000       1.30588766      -0.96200591       0.04837845
O       -1.82340000       1.13801000     -10.29895000       0.29472835      -0.35165009      -0.01638365
O       -0.89130000       2.62758000     -12.91665000       0.30149038      -0.29761257      -0.67396589
O       -1.38023000       0.56336000     -15.58557000      -0.68852645       0.29869985      -1.03383811
Zn      -0.11819000       1.85302000      -2.48634000       0.38709055       0.30290027       0.93435501
Zn      -1.81827000       0.95485000      -8.22422000      -1.13903661       0.75495648      -1.43324908
Zn      -0.19494000       0.17659000     -11.14325000      -0.00078044       0.04009927       1.23665387
Zn      -0.71472000       0.76088000     -13.79675000      -0.71595544       0.42185097       0.88083951
Zn      -1.74306000       2.23736000     -16.53062000       0.74035655       0.09700380      -0.37975079
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.77726981 magmom=1.9589282 free_energy=-64.77846458 stress="0.02171054864889463 0.0038640784977306297 0.008151664754338176 0.0038640784977306297 -0.006516338882030952 -0.008003069270601106 0.008151664754338176 -0.008003069270601106 0.02243884127584444" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33992000       2.68722000      -5.47246000       3.08132260       2.57637931      -0.37440611
O       -1.61921000       2.70750000      -1.70634000      -0.96784844       0.39500222      -0.47708182
O       -0.06441000       1.94234000      -4.51026000      -1.58772151      -1.10221716       2.64381549
O       -1.70005000       0.95305000      -6.00151000      -1.64378660      -1.28169450      -0.21906424
O       -0.17493000       0.02403000      -7.41780000      -0.07821278       0.62295196      -2.22886026
O       -1.84522000       1.01466000     -10.22759000       0.38667830       0.11247096      -1.17589808
O       -0.87723000       2.52812000     -12.88206000       0.10837684      -0.02106958      -0.79056777
O       -1.70794000       0.58810000     -15.70411000       0.71268277      -0.10503180       0.40992822
Zn      -0.13612000       1.79751000      -2.44419000       1.00499393      -0.31079833      -1.01925979
Zn      -1.90637000       1.11410000      -8.32895000       0.21775018      -0.85999159       1.43642873
Zn      -0.20247000       0.13311000     -11.10225000      -0.08761035      -0.35787959       0.95042090
Zn      -0.65795000       0.74036000     -13.81519000      -1.01760619       0.06107895       0.00461755
Zn      -1.68128000       2.36307000     -16.53876000      -0.12901875       0.27079916       0.83992718
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.01101767 magmom=1.9990463 free_energy=-65.01130992 stress="0.010052546898330074 -0.018802373595339386 -0.015161920511529163 -0.018802373595339386 0.004601321592321665 -0.021811216127065335 -0.015161920511529163 -0.021811216127065335 0.031383637039275415" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42877000       2.73999000      -5.49154000       0.52655872      -0.73733230       1.26492867
O        1.44949000       2.62125000      -1.72435000       0.35105887       0.31906001      -0.00939765
O       -0.16015000       1.69674000      -4.40096000      -0.00582702       0.53731608       0.24957901
O       -1.76297000       0.82212000      -5.90833000      -0.15254715       0.73733430      -0.92994692
O       -0.05872000       0.06045000      -7.49613000      -0.62802008       0.50291493      -1.20744451
O       -1.78942000       0.91566000     -10.31041000      -0.19320144       0.51146383      -0.09934250
O       -0.83713000       2.43676000     -12.98487000      -0.22433842       0.72300955       0.17625346
O       -1.85170000       0.64121000     -15.74709000       2.11027786       1.00045709       1.05733502
Zn      -0.10777000       1.72753000      -2.42821000      -0.38087703      -0.32671135      -0.34631672
Zn      -1.98767000       1.23388000      -8.39379000       0.34030696      -1.11520777       0.98587701
Zn      -0.21153000       0.06800000     -11.02408000       0.59702158      -0.69042833      -0.68824559
Zn      -0.65561000       0.72062000     -13.83207000      -0.81220344      -0.58385832      -0.11984564
Zn      -1.63415000       2.49588000     -16.50535000      -1.52820942      -0.87801772      -0.33343365
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.91135955 magmom=2.0224444 free_energy=-64.91473914 stress="0.004247950888586578 -0.03309827911077705 -0.0009501701873791317 -0.03309827911077705 -0.012307594227753694 -0.006420026978588652 -0.0009501701873791317 -0.006420026978588652 0.015852453743406915" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06134000      -0.02382000      -5.44203000      -2.05389320      -1.43750845       1.17565069
O        1.38986000       2.61473000      -1.78012000       0.97250498      -0.04249784       1.22987765
O       -0.28544000       1.52812000      -4.29195000       0.21850177       1.08314890      -0.93142714
O       -1.80597000       0.83183000      -5.93052000       1.85942134       0.89734363      -1.30256177
O       -0.10763000       0.18934000      -7.74384000      -1.31293415      -0.02807395       0.52456212
O       -1.77023000       0.92360000     -10.38856000      -0.17400213      -0.08208935       0.40629196
O       -0.84174000       2.48923000     -13.04640000      -0.13260313       0.21368118       0.19639449
O       -1.60070000       0.83948000     -15.63031000      -0.00135968      -0.59242816      -0.91720378
Zn      -0.09908000       1.64166000      -2.41899000      -0.71559961       0.18717029       0.30507071
Zn      -2.04007000       1.29193000      -8.42032000       1.26865510      -0.70588297      -0.28275269
Zn      -0.18901000      -0.02945000     -10.99148000       0.57262216       0.12402591      -1.15404748
Zn      -0.70153000       0.67568000     -13.84939000      -0.67727179       0.00717986       0.92273421
Zn       1.56306000       2.59940000     -16.46588000       0.17595833       0.37593095      -0.17258899
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.10735782 magmom=2.0186006 free_energy=-65.11246031 stress="0.01773140251279842 0.012746798258610565 -0.006942121596086145 0.012746798258610565 -0.008325033599192063 -0.011262101228883442 -0.006942121596086145 -0.011262101228883442 -0.015267992481244426" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57226000       2.74000000      -5.40317000      -0.59064454      -0.07839360      -0.24831189
O       -1.68250000       2.58257000      -1.62653000      -0.13678244      -0.50743381      -0.70202937
O       -0.34122000       1.56692000      -4.35556000       1.34554995       1.34291409       1.15192638
O       -1.64512000       0.93942000      -6.09145000      -1.07848277      -0.91020079       0.02606100
O       -0.41933000       0.33792000      -7.86627000       0.58474155      -0.15811923      -0.70735777
O       -1.78944000       0.90332000     -10.37786000       0.20696110      -0.69700005      -0.20588586
O       -0.87983000       2.59340000     -13.05551000      -0.00019748      -0.53540728       0.40312227
O       -1.32988000       0.96066000     -15.67857000      -1.44366713       0.31615324       0.39175041
Zn      -0.12870000       1.56583000      -2.39346000       0.16948160       0.61599802       0.05984117
Zn      -2.03013000       1.30059000      -8.45864000       0.01036326      -0.44678814       0.59369885
Zn       1.46872000       2.67014000     -11.04609000       0.14206391       0.89815532      -0.95740673
Zn      -0.78957000       0.63028000     -13.81684000      -0.78172397       0.78449065       0.60673671
Zn      -0.04929000      -0.08413000     -16.41920000       1.57233695      -0.62436842      -0.41214518
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.43816117 magmom=2.0152051 free_energy=-65.44491361 stress="0.01001080580116776 0.016417781565721372 0.0013438850573945413 0.016417781565721372 0.013193922789514218 0.0007399412365710637 0.0013438850573945413 0.0007399412365710637 -0.002734659046399187" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56935000       2.72105000      -5.39744000      -1.08208667       0.71074479       1.30513146
O       -1.56852000       2.46583000      -1.60719000      -1.25910766       0.78994554      -0.13338599
O       -0.13603000       1.85049000      -4.30836000       0.49672279      -0.34238936      -0.40961079
O       -1.74763000       0.91928000      -6.08968000       0.39727356      -0.28337485      -0.10994783
O       -0.51860000       0.37848000      -8.02932000       1.87995823      -0.91060426       0.08732569
O       -1.75185000       0.75132000     -10.40882000       0.50126749       0.49154635      -0.47875690
O       -0.94063000       2.58754000     -13.00157000      -0.41494602      -0.52839016      -0.42567613
O       -1.34308000       1.09397000     -15.68847000      -0.53352709      -1.28251378       0.93049393
Zn      -0.14736000       1.51594000      -2.35254000       1.19775808      -0.29872794      -0.39978526
Zn      -2.02990000       1.29014000      -8.48441000      -1.24482149       0.32248852      -0.00933446
Zn       1.53625000       2.61924000     -11.13544000      -0.42873991      -0.12475296       0.29254010
Zn      -0.92583000       0.62556000     -13.74146000      -0.31061882       0.82482436      -0.23410738
Zn       0.02036000       0.00709000     -16.40496000       0.80086751       0.63120372      -0.41488645
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.08048372 magmom=2.0693986 free_energy=-65.09204678 stress="0.006543436943153778 -0.02274461136613285 0.01733421358135449 -0.02274461136613285 -0.019941273512059477 0.009319471671321994 0.01733421358135449 0.009319471671321994 -0.00907511163328542" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51575000       2.73431000      -5.36964000       0.05235584       0.74620202       0.56563028
O       -1.68159000       2.46630000      -1.67345000      -0.03722559      -0.15183112       0.67199616
O        0.11925000       2.09196000      -4.31268000      -2.09446494      -1.48611907       1.81420600
O       -1.82926000       0.89809000      -5.94782000       1.84269201       0.64707378      -1.78295368
O       -0.25951000       0.25152000      -8.13431000      -1.50323932       0.27478852       0.77204043
O       -1.61567000       0.68460000     -10.53446000      -0.16523814       0.48138704       0.08894240
O       -1.08074000       2.47599000     -13.05522000      -0.25220221       0.54978460      -0.53915361
O       -1.51363000       1.03067000     -15.57649000       0.28205320      -0.27494609      -1.15949570
Zn      -0.11105000       1.46126000      -2.32199000       0.31581406       0.90293751      -0.92947546
Zn      -2.07209000       1.27836000      -8.52054000       1.83630799      -0.86609994      -0.61954620
Zn      -1.63019000       2.55954000     -11.21154000       0.00666948      -0.05401043       1.05269121
Zn      -1.08455000       0.66154000     -13.66761000      -0.10838718      -0.38909526      -0.41159528
Zn       0.14259000       0.11542000     -16.39740000      -0.17513520      -0.38007155       0.47671345
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.32110084 magmom=2.1278974 free_energy=-65.33239629 stress="0.006854602662043788 -0.013241439854119734 -0.009197698299106275 -0.013241439854119734 -0.013307642349289734 0.0025712939300930287 -0.009197698299106275 0.0025712939300930287 0.006891594214180161" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13891000      -0.01843000      -5.30799000       1.28474322       1.04008373       1.01235573
O        1.42103000       2.47422000      -1.61787000       0.92200157       0.15623880       0.66254429
O        0.06016000       2.08756000      -4.15157000      -0.97530322      -0.55091593      -1.08435513
O       -1.65690000       1.00413000      -5.98604000      -0.61226182      -0.44979342      -0.31953303
O       -0.29286000       0.21195000      -8.03529000      -0.48333466       0.52359476      -0.21397604
O       -1.53323000       0.72137000     -10.62773000      -0.61645914      -0.34301999       0.53086287
O       -1.25506000       2.50087000     -13.19717000       0.05938196       0.57406363       0.68986425
O       -1.53771000       0.92949000     -15.66021000       2.03279173       0.92737014       0.39829972
Zn      -0.06377000       1.45195000      -2.32968000      -0.61293570       0.36034391       0.16887385
Zn      -2.02218000       1.21903000      -8.58311000       0.99669717      -0.97786477       0.10171906
Zn      -1.58842000       2.51593000     -11.22219000       0.45016332       0.68587862       0.18365030
Zn      -1.22436000       0.67283000     -13.63252000      -0.43778154      -0.34891998      -1.39535564
Zn      -2.99367000       0.17467000     -16.37735000      -2.00770289      -1.59705950      -0.73495023
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.45953102 magmom=2.0751078 free_energy=-65.46815411 stress="-0.007708623556017876 0.01935144912083341 -0.016364239890673607 0.01935144912083341 0.012259743442138236 0.0009607879930437193 -0.016364239890673607 0.0009607879930437193 -0.006715455899379955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14933000       0.05466000      -5.24044000       1.03453523       0.93769736       0.32435894
O       -1.71688000       2.47618000      -1.50148000       0.36284057      -0.05713385      -1.22564143
O       -0.14782000       1.98953000      -4.24654000       0.48901360      -0.31768544       0.43826935
O       -1.56141000       1.10629000      -5.95223000      -1.63637934      -0.85919408      -0.38254116
O       -0.42532000       0.23228000      -7.93850000       1.51260483      -0.72969876      -0.83663729
O       -1.57431000       0.69620000     -10.60854000       0.19825458      -0.08220549       0.25817028
O       -1.40888000       2.63344000     -13.19336000       0.23856537      -0.84251418       0.64486284
O       -1.24719000       1.00511000     -15.71572000      -1.86359901       0.62454311       0.85400435
Zn      -0.04643000       1.47050000      -2.31802000      -0.30184656       0.55292073       0.33006628
Zn      -1.91472000       1.11361000      -8.64342000      -1.04131240       0.41435617       1.00360561
Zn      -1.52614000       2.50880000     -11.21729000      -0.38453781       0.41270611       0.02047967
Zn      -1.38886000       0.67066000     -13.67596000      -0.28120460       1.02536130      -1.41100056
Zn      -2.99051000       0.15965000     -16.37382000       1.67306554      -1.07915298      -0.01799688
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.69653938 magmom=2.056894 free_energy=-65.70706864 stress="0.009126223663592732 0.0067173017195982804 -0.0017516155794351236 0.0067173017195982804 -0.0011735114628380926 -0.0023936846725956173 -0.0017516155794351236 -0.0023936846725956173 -0.02645995726041242" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12737000       0.16174000      -5.20708000      -0.56755743      -0.74354230      -0.48741147
O       -1.55158000       2.48719000      -1.61998000      -0.71084493       0.38646048       0.47705116
O       -0.22861000       1.89446000      -4.31340000       0.84031910       1.00411497       2.17675437
O       -1.76086000       1.08873000      -5.82253000      -0.12118648      -0.57914497      -1.32149623
O       -0.25147000       0.10274000      -7.99398000       0.33710942      -0.19385754      -0.38689817
O       -1.56822000       0.65362000     -10.53235000       0.69098383       0.41682469      -0.45209383
O       -1.53274000       2.61626000     -13.09363000      -0.27926590      -0.06819338      -1.12023988
O       -1.22374000       1.16921000     -15.64499000      -0.27408065      -1.55549680      -0.54235954
Zn      -0.04481000       1.51707000      -2.27979000       0.61022009       0.34125861      -0.92711710
Zn      -1.84585000       1.01704000      -8.64766000      -0.12625221       0.09396601       1.53301782
Zn      -1.48345000       2.52409000     -11.20360000      -0.79414642      -0.25123079       0.74905175
Zn      -1.57232000       0.71751000     -13.79088000       0.27773199       0.19494589       0.67120735
Zn      -2.92904000       0.09341000     -16.36627000       0.11696958       0.95389514      -0.36946623
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.59846435 magmom=2.1570899 free_energy=-65.60948606 stress="0.0022815610292545347 -0.0115771624671057 0.02034721242763 -0.0115771624671057 -0.016806575480145716 0.00750052463878769 0.02034721242763 0.00750052463878769 -0.0213230599651002" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14687000       0.22366000      -5.21813000      -2.26474431      -1.99596796       2.05342199
O       -1.54348000       2.56539000      -1.68046000      -0.56773123       0.03684984       1.32053964
O       -0.16333000       1.94089000      -4.11258000      -0.28596514       0.48906174      -1.83650916
O       -1.92883000       0.99905000      -5.84006000       2.80895557       1.50153848      -1.56595357
O        1.58486000       2.72014000      -8.10005000      -1.25690079       0.43006463       0.31926912
O       -1.44809000       0.69321000     -10.54847000      -0.48692319      -0.01339858      -0.11023853
O        1.52291000       2.59004000     -13.17782000       0.07514598       0.55721632       0.17444336
O       -1.30164000       1.05475000     -15.71100000       0.28021307      -0.65627602      -0.79028778
Zn      -0.01243000       1.57672000      -2.27061000       0.60247741       0.31437425       0.30196163
Zn      -1.78823000       0.93411000      -8.58110000       1.30069139      -0.54033148       0.32484774
Zn      -1.48059000       2.52992000     -11.16213000       0.16461271       0.19033572      -0.51132382
Zn      -1.72757000       0.77081000     -13.86163000       0.15255809      -0.47978378       1.12924255
Zn      -2.85656000       0.06823000     -16.37133000      -0.52238954       0.16631686      -0.80941318
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.94679943 magmom=2.1538108 free_energy=-65.95767529 stress="-0.004980157809328084 -0.003084905475360186 -0.009719910063488551 -0.003084905475360186 7.997884773528709e-05 -0.003900677022037345 -0.009719910063488551 -0.003900677022037345 0.0031635975174004985" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.24165000       0.20197000      -5.16903000       1.20963324      -0.35695290      -0.70651451
O       -1.65769000       2.64555000      -1.54280000       0.45377577      -0.31972718      -1.29931514
O       -0.15918000       2.04747000      -4.24935000      -0.20159912      -0.20506085       1.00887741
O       -1.71864000       1.07948000      -5.97231000      -0.88088513       0.23965229       0.12108472
O        1.54735000       2.67938000      -8.10241000      -0.04750342       0.28343713      -0.25683478
O       -1.43362000       0.72851000     -10.59743000      -0.61256930      -0.28158383       0.30941402
O        1.39180000       2.66074000     -13.26052000       0.16122351      -0.07195110       0.51975626
O       -1.28056000       0.83167000     -15.89861000       0.54572021       1.27189243       1.50484259
Zn       0.04608000       1.64758000      -2.25272000      -0.55125148       0.56746010      -0.38194586
Zn      -1.67336000       0.82963000      -8.49956000       0.19998318      -0.26486984       0.22772993
Zn      -1.47328000       2.54515000     -11.14476000       0.15817495       0.42155238      -0.73271885
Zn      -1.85348000       0.79681000     -13.86613000       0.57924125       0.03194555      -0.20180786
Zn      -2.82792000       0.05112000     -16.41184000      -1.01394366      -1.31579417      -0.11256794
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.65262779 magmom=2.1392947 free_energy=-65.66226196 stress="-0.02758703255695391 0.002698012737098604 -0.014575950545539257 0.002698012737098604 -0.00037381094083182366 0.00024017013168489747 -0.014575950545539257 0.00024017013168489747 0.0014464601904144825" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.29264000       0.16356000      -5.18194000       2.37979243       0.51572020      -0.19814723
O       -1.65090000       2.66970000      -1.67443000       1.25375493       0.49964672       0.10170975
O       -0.17157000       2.10328000      -4.30135000      -0.28865061      -0.65834614       1.69492448
O       -1.59806000       1.18444000      -5.94925000      -1.95276642      -0.28975250      -0.91593548
O        1.56395000       2.66443000      -8.11468000       1.63347901      -0.94999321       0.12403842
O       -1.54380000       0.72008000     -10.58971000       0.67024175       0.30594068       0.41148860
O       -0.29774000      -0.06755000     -13.21148000       0.22447984      -0.40448501       0.35724076
O       -1.20383000       0.86690000     -15.81683000      -0.89847123       0.35880931       0.20311917
Zn       0.07156000       1.74367000      -2.24168000      -1.19544927      -0.17144961      -1.13319644
Zn      -1.56526000       0.72420000      -8.41801000      -1.59979484       1.13465872      -0.45819346
Zn      -1.46334000       2.58036000     -11.16749000      -1.05128476      -0.20741953      -0.49245960
Zn      -1.94514000       0.82335000     -13.87245000       0.59189860       0.28561300       0.06357398
Zn      -2.84171000      -0.03368000     -16.45200000       0.23277058      -0.41894264       0.24183705
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.2357998 magmom=2.1873835 free_energy=-65.24515433 stress="0.011615570273836319 -0.0023464512346478 0.012476544115354003 -0.0023464512346478 -0.03113922130825291 -0.0004267426581587528 0.012476544115354003 -0.0004267426581587528 -0.010164208776101498" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25421000       0.14397000      -5.23470000       0.91582097       1.49862168       1.98957878
O       -3.02950000       0.00810000      -1.84372000      -1.87170320       0.60669769       2.65323753
O       -0.15991000       2.07712000      -4.14456000      -0.14480850      -0.07824225      -2.17822216
O       -1.76018000       1.19385000      -5.91259000      -0.46551398      -1.73762907      -0.91723046
O       -1.35469000       2.45543000      -8.08842000      -1.74085954       0.54841027       0.29377624
O       -1.55440000       0.76524000     -10.50709000       0.24032800      -0.05593911      -0.07011937
O       -0.35150000      -0.08146000     -13.11282000       0.10052041       0.16509260      -0.50782232
O       -1.29930000       0.98367000     -15.67048000      -0.04341175      -1.67598867      -0.92776272
Zn       0.05273000       1.85725000      -2.28019000       1.85975877      -0.52779423      -0.53938825
Zn      -1.49676000       0.65286000      -8.35104000       1.53792057      -0.12265250      -0.90549000
Zn      -1.50734000       2.61815000     -11.21953000      -0.38556731      -0.04712218       0.74397661
Zn      -2.02355000       0.87175000     -13.86652000       0.26146893      -0.19252149       0.91083920
Zn      -1.24937000       2.62828000     -16.50017000      -0.26395339       1.61906726      -0.54537310
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35336091 magmom=2.1507308 free_energy=-65.36388741 stress="0.013236334867632092 -0.012175976972038963 0.02169622984677121 -0.012175976972038963 -0.010311277386978084 0.010531440648269382 0.02169622984677121 0.010531440648269382 -0.023643578103820503" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16843000       0.16762000      -5.22127000      -2.45060414      -1.60102136       0.62164735
O       -3.05970000       0.23160000      -1.59405000      -0.42779115      -0.72701540      -1.72403851
O       -0.15966000       2.03294000      -4.34514000      -0.59514049      -0.33950051       1.88314514
O       -1.99585000       0.96606000      -5.89637000       3.51645932       1.85616592      -1.73543679
O       -1.34014000       2.38614000      -7.96304000      -0.35586088       0.63786936      -0.00038047
O       -1.49881000       0.82242000     -10.44072000      -0.57817730      -0.17042772      -0.36588943
O       -0.39009000      -0.06709000     -13.11708000      -0.12656251       0.35601007      -0.10973738
O       -1.43622000       0.79378000     -15.72927000       0.32131264       0.00633347       0.04103332
Zn       0.10177000       1.97811000      -2.35845000       0.11483058       0.81180780      -0.37136542
Zn      -1.34702000       0.55762000      -8.33061000      -0.00320171      -0.28051028      -0.78954427
Zn      -1.58536000       2.65650000     -11.23531000       0.47471767      -0.05829553       1.23138443
Zn      -2.09505000       0.91857000     -13.81159000       0.73180082      -0.44270816      -0.56692930
Zn      -1.27606000       2.55646000     -16.53965000      -0.62178284      -0.04870766       1.88611133
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.63362902 magmom=2.0397509 free_energy=-65.64016485 stress="0.0012662465321626045 -0.006073848546823085 -0.01306473145235899 -0.006073848546823085 0.017145498319831684 0.0012864650583721713 -0.01306473145235899 0.0012864650583721713 0.005511639144747156" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16057000       0.13358000      -5.22374000      -0.50999289      -0.94821198      -0.64684259
O        0.00553000       0.32396000      -1.64667000       0.65629046      -0.42081275      -0.38223377
O       -0.25092000       1.93610000      -4.31923000       0.56460517       0.30640978       0.69677420
O       -1.79111000       0.95778000      -5.96290000       0.29888534       0.51581901       0.16285840
O       -1.34964000       2.43451000      -7.82244000       1.44800960      -0.84600586      -0.52661195
O       -1.56505000       0.83849000     -10.45471000      -0.50845248      -0.09883897       0.17403764
O       -0.44816000       0.00636000     -13.15867000      -0.01190005      -0.19065339       0.57245845
O       -1.46674000       0.61397000     -15.79171000       0.64316903       0.96242605       0.73796082
Zn       0.16207000       2.11845000      -2.43278000      -0.67552125       0.13208736       0.57613743
Zn      -1.22729000       0.46934000      -8.35939000      -1.93505732       1.31695817      -0.65286228
Zn       1.58299000       2.69559000     -11.18388000       0.39890439      -0.08906774       0.34759147
Zn      -2.12224000       0.94008000     -13.78116000       0.84985798      -0.13006974      -0.94511889
Zn      -1.33829000       2.49354000     -16.49553000      -1.21879798      -0.51003993      -0.11414893
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.14993073 magmom=2.007962 free_energy=-65.15348286 stress="0.00428331058567897 -0.011955238998828862 -0.021452441050374364 -0.011955238998828862 0.006529103136442422 -0.006858181899142589 -0.021452441050374364 -0.006858181899142589 0.0005238912483823956" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16869000       0.05371000      -5.29020000       1.81666456      -0.30918598       1.60943089
O        0.04881000       0.34618000      -1.84005000       1.34498590       0.13492712       1.80519220
O       -0.26155000       1.86905000      -4.24548000       0.78129429       0.43143002      -1.18409603
O       -1.55365000       1.02699000      -5.88208000      -2.47905835      -0.51067276      -1.31622299
O       -1.15200000       2.36473000      -7.78978000      -0.98995776       0.01893610      -0.79956487
O       -1.71413000       0.83432000     -10.44278000       0.58132579       0.10728935       0.34765498
O       -0.48713000       0.03510000     -13.09469000       0.52041307      -0.31116538       0.09329832
O       -1.39515000       0.63404000     -15.72969000      -0.76781528      -0.14842755      -0.08229069
Zn       0.17243000       2.24455000      -2.45749000      -1.11453962      -0.46797339       0.62671902
Zn      -1.20479000       0.45271000      -8.41960000       0.36724632       0.56935886      -0.05698556
Zn      -0.04281000      -0.07135000     -11.09993000      -0.52414770      -0.25890816      -0.17348202
Zn      -2.10323000       0.95043000     -13.79842000       0.24897732      -0.04757631       0.06744668
Zn      -1.44536000       2.41563000     -16.43745000       0.21461147       0.79196809      -0.93709993
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.43360211 magmom=2.0064389 free_energy=-65.44022439 stress="0.012478080787383813 0.0028423210592887966 0.01271922636708094 0.0028423210592887966 0.002977514450072295 -0.0045344264269518925 0.01271922636708094 -0.0045344264269518925 0.0028552987545878436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50690000       2.73995000      -5.34367000       0.34932964       0.87018608       0.44606537
O       -2.88555000       0.40168000      -1.66870000      -2.11692119       0.52829072       0.81558281
O       -0.07183000       1.88911000      -4.42565000      -0.15138135      -0.15926165       1.82898424
O       -1.70719000       0.92706000      -5.87701000       0.27069426      -0.62483259      -1.58530902
O       -1.14246000       2.32020000      -7.90342000      -0.71078315       0.42954202      -0.25947502
O       -1.75492000       0.85453000     -10.36098000       0.32884363       0.04595553      -0.40831040
O       -0.41437000      -0.00584000     -13.01301000       0.21056821       0.05578929      -0.42560069
O       -1.47791000       0.63314000     -15.68556000      -0.49667997      -0.46796117      -0.23143273
Zn       0.13759000       2.34996000      -2.44277000       1.65543333      -1.15229196      -0.56215238
Zn      -1.17437000       0.47341000      -8.49178000       0.20429183      -0.05896261       0.66063545
Zn      -0.09541000      -0.06296000     -11.03667000      -0.24913086      -0.20209354      -0.36608476
Zn      -2.06226000       0.95668000     -13.81135000       0.26836428      -0.32207901       0.84424100
Zn      -1.55587000       2.37670000     -16.42589000       0.43737135       1.05771889      -0.75714387
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.97954849 magmom=2.0866213 free_energy=-64.98737392 stress="0.009441458303421526 -0.0009905212005949652 0.016513221673893495 -0.0009905212005949652 0.013290205407795701 0.01597423061710925 0.016513221673893495 0.01597423061710925 -0.007895621566168843" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.59234000       2.62250000      -5.39789000      -1.54086570      -0.43857093       0.92058672
O        0.29811000       0.56160000      -1.37920000      -0.46780526      -0.06106143      -2.47389031
O        0.12814000       1.89616000      -4.32504000      -1.09305708      -0.57960527       0.72222246
O       -1.83713000       0.76125000      -6.07515000       3.03947596       1.24401257      -0.87185950
O       -1.29292000       2.37234000      -8.05060000       1.23111739      -0.36096068       0.27633918
O       -1.72682000       0.89161000     -10.36483000      -0.54763138      -0.27741774      -0.60348049
O       -0.27615000      -0.04618000     -13.01114000      -0.32248819       0.21714909       0.17322423
O       -1.69238000       0.54298000     -15.69681000       0.36005110       0.44865271       0.48565201
Zn       0.16455000       2.42312000      -2.42559000       0.12934169      -0.12960322       1.05324973
Zn      -1.13652000       0.50420000      -8.54178000      -1.74002007       0.63629226       0.70677521
Zn      -0.17101000      -0.06577000     -10.98569000       0.64200693       0.05170541      -1.06465461
Zn      -1.99610000       0.94529000     -13.77844000       0.61222221      -0.45788030       0.17079739
Zn      -1.66467000       2.38604000     -16.44317000      -0.30234760      -0.29271249       0.50503797
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.42915403 magmom=2.0934256 free_energy=-65.44016564 stress="0.027530630223511498 -0.008033418190544603 -0.0028699562022719035 -0.008033418190544603 0.008732726678419398 -0.003922861436376292 -0.0028699562022719035 -0.003922861436376292 0.021129741715427235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.52165000       2.49062000      -5.45858000       0.18106647       1.38123392       1.62708057
O        0.11163000       0.68584000      -1.54695000       0.18592838      -1.00446119       0.33140384
O        0.14102000       1.80645000      -4.17572000      -0.15120969      -0.05188531      -2.12693384
O       -1.51045000       0.77897000      -6.21264000       0.21411971      -1.26384554       0.86281115
O       -1.23322000       2.40221000      -8.09635000       0.03853471       0.49303731      -0.29879030
O       -1.80378000       0.86814000     -10.49531000      -0.08453660      -0.14225499       0.44388689
O       -0.20654000      -0.04464000     -13.00625000      -0.48965518      -0.00648595      -0.08528819
O       -1.83764000       0.53565000     -15.66057000       0.53642704       0.41343141      -0.33023365
Zn       0.20855000       2.48987000      -2.34644000      -0.53270165       0.33942182      -0.03786389
Zn      -1.18487000       0.56152000      -8.55545000      -0.69359714      -0.06081313       0.56222907
Zn      -0.21561000      -0.06719000     -10.98947000       0.47140128      -0.07991442      -1.06159277
Zn      -1.89534000       0.90950000     -13.72522000       0.53104649      -0.21423927       0.18058797
Zn       1.42851000       2.39858000     -16.43572000      -0.20682381       0.19677532      -0.06729685
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.96625502 magmom=2.0633577 free_energy=-64.97344395 stress="-0.020845571178865128 -0.016369380035582155 -0.019227888617309678 -0.016369380035582155 -0.017059257397197942 0.0055161660613840865 -0.019227888617309678 0.0055161660613840865 0.006248647196587529" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.44792000       2.40623000      -5.46535000       1.65490632       1.06345513       1.10011087
O        0.04697000       0.66297000      -1.70661000       1.81180979       0.29296007       1.13018325
O        0.14599000       1.73403000      -4.45056000       0.66903296      -0.31206770       1.36066544
O       -1.17448000       0.68296000      -6.04716000      -2.26640260      -0.25842419      -1.72614753
O       -1.17321000       2.48196000      -8.09241000      -1.40722984      -0.27212251       0.29389389
O       -1.87691000       0.82835000     -10.53989000       0.66274617       0.34025473       0.36237845
O       -0.22719000      -0.04500000     -13.03712000       0.50938204      -0.27122124      -0.42877450
O       -1.86378000       0.61194000     -15.70381000      -0.08130311      -0.16439197      -0.37862175
Zn       0.20432000       2.55167000      -2.27043000      -2.16546688      -1.19512613      -1.70913636
Zn      -1.26733000       0.62353000      -8.54929000       0.90534910       0.35345280       0.23181006
Zn      -0.23503000      -0.07477000     -11.04564000      -0.20188220      -0.39810824      -0.26898504
Zn      -1.78069000       0.86553000     -13.66545000      -0.54657594       0.06846095      -0.20953223
Zn       1.30839000       2.41189000     -16.42221000       0.45563418       0.75287830       0.24215546
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.24661066 magmom=2.00874 free_energy=-65.25226337 stress="-0.010277420820045461 0.02495946234069527 0.00045243517511699296 0.02495946234069527 -0.011407485169065826 0.004943599530272212 0.00045243517511699296 0.004943599530272212 0.013829177877365767" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.31026000       2.36914000      -5.43784000       0.42630392       1.28928878      -0.37296941
O        0.25564000       0.65703000      -1.64942000      -1.92752398       0.20340133       0.21876384
O        0.29510000       1.64838000      -4.51298000       0.20482413      -0.54742919       1.93380335
O       -1.23282000       0.59674000      -6.05153000      -0.84494193      -0.11369149      -0.85647505
O       -1.37413000       2.53669000      -8.00214000       0.55487336      -0.01133646      -0.26479579
O       -1.82485000       0.84745000     -10.51609000      -0.13595501      -0.17570717      -0.21996471
O        1.46069000       2.68613000     -13.16498000       0.42569768       0.01686993       0.47161337
O       -1.89910000       0.65056000     -15.81615000      -0.29489416      -0.09572625       1.01807901
Zn       0.11408000       2.55464000      -2.28076000       1.45043315      -1.01167052      -1.07849513
Zn      -1.30861000       0.68963000      -8.53178000      -0.73151715      -0.01940902       0.66744134
Zn       1.34600000       2.68919000     -11.13062000       0.51152861       0.06454882       0.17719133
Zn      -1.70622000       0.82887000     -13.62538000      -0.60665451      -0.14917360      -1.36983931
Zn       1.22712000       2.46381000     -16.39710000       0.96782590       0.55003485      -0.32435287
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.09268209 magmom=2.0255434 free_energy=-65.09901101 stress="0.0032340577516433576 -0.006406653009875202 0.021315603103075814 -0.006406653009875202 0.003006783869804924 8.483304414474203e-05 0.021315603103075814 8.483304414474203e-05 0.02834284552056797" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.14573000       2.37126000      -5.44854000      -2.44090101      -0.48493029       1.85074464
O        0.13697000       0.66203000      -1.55350000      -0.74110057      -0.67774171      -0.33283892
O        0.51484000       1.50139000      -4.24657000      -0.59310319       0.53927117      -0.71124763
O       -1.45393000       0.58426000      -6.10892000       2.84491062       0.72423369      -0.33378840
O       -1.49394000       2.57283000      -7.90751000       0.70888326       0.16404521      -0.54951710
O       -1.78280000       0.83554000     -10.52605000      -0.27557347      -0.25911230       0.23322075
O       -1.58459000       2.61387000     -13.18739000      -1.04004142       0.14096380       0.82980368
O       -1.99212000       0.67833000     -15.73407000       0.30312363       0.39012170       0.65748949
Zn       0.07113000       2.50520000      -2.34857000       0.31627441      -0.19235873      -0.15472802
Zn      -1.38864000       0.76264000      -8.48513000      -0.88690510      -0.33877370       0.05894620
Zn       1.35129000       2.66339000     -11.19266000       0.65382484       0.14585146       0.28584739
Zn      -1.65561000       0.78098000     -13.65892000       0.63985582      -0.18954598      -1.44669666
Zn       1.19278000       2.55318000     -16.38249000       0.51075217       0.03797568      -0.38723542
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.2074295 magmom=2.052069 free_energy=-65.21604032 stress="0.02388226960326895 -0.022086803309069983 0.007735637818639177 -0.022086803309069983 0.021653703861111793 -0.017966299911196408 0.007735637818639177 -0.017966299911196408 -0.006104580589321255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.08588000       2.36653000      -5.40477000      -1.21541717       1.37439511       1.85961164
O       -0.19202000       0.55710000      -1.52423000       1.06723733       0.19483837       0.05711144
O        0.63522000       1.46872000      -4.14101000      -0.44532927       0.43835442      -1.03941772
O       -1.26120000       0.66048000      -6.03714000       1.28520688      -1.38554112      -0.25196719
O       -1.43586000       2.63666000      -7.85262000      -0.51550806       0.06082280      -0.49129207
O       -1.79137000       0.76658000     -10.48214000       0.13859851       0.13497236       0.37079400
O       -1.59030000       2.58039000     -13.06177000      -0.08240699      -0.01865515      -1.32456073
O       -2.04256000       0.79400000     -15.54539000       0.01503715       0.30327828      -2.12421792
Zn       0.04737000       2.42779000      -2.43096000      -1.17433047      -0.70395941      -0.05808904
Zn      -1.52546000       0.82342000      -8.43653000       0.54157459      -0.29162530      -0.24935944
Zn       1.39264000       2.64239000     -11.23496000       0.04930634      -0.08194862       1.96751114
Zn      -1.57320000       0.71583000     -13.76781000       0.24006361      -0.02382388       1.29454120
Zn       1.18752000       2.65588000     -16.38395000       0.09596755      -0.00110786      -0.01066530
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.24961436 magmom=2.0176924 free_energy=-65.25405473 stress="0.002624473666268093 -0.00953761779545248 -0.010411662998596666 -0.00953761779545248 0.005221425117177693 -0.0004908505465566708 -0.010411662998596666 -0.0004908505465566708 -0.002193379708814685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.09927000       2.40852000      -5.30269000       2.43761626       0.28968249       1.06365603
O       -0.30327000       0.48093000      -1.54850000       1.00143154       0.35209432      -0.96427342
O        0.66348000       1.54596000      -4.27553000      -0.48894046      -0.24525872       0.86464256
O       -0.87728000       0.60934000      -5.85811000      -2.57257673       0.31978723      -1.36854434
O       -1.46110000       2.67314000      -7.80235000      -0.90594508      -0.29886724      -0.26378287
O       -1.77243000       0.72253000     -10.38263000       0.21647972       0.23998956      -0.66546950
O       -1.62565000       2.53861000     -13.14349000       0.84780068      -0.27613774       0.33262746
O       -2.06169000       0.96619000     -15.70885000       0.38556689      -0.51532322       0.42728304
Zn      -0.03374000       2.31676000      -2.50230000      -0.83283431      -0.67862363       0.76917739
Zn      -1.62863000       0.86867000      -8.41236000       1.10783009       0.03673031      -0.08150665
Zn       1.43998000       2.61798000     -11.18547000       0.03169150      -0.19488714       0.69124618
Zn      -1.48539000       0.65323000     -13.83137000      -1.21194919       0.50000653      -0.20067562
Zn      -0.41298000      -0.03125000     -16.36624000      -0.01617090       0.47080725      -0.60438025
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.61434285 magmom=2.0071503 free_energy=-65.61830426 stress="0.016943451057502786 -0.007233834565762752 -0.0029368781249913 -0.007233834565762752 -0.016660614537410683 -4.9010557875193286e-05 -0.0029368781249913 -4.9010557875193286e-05 0.00667639794585124" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.02612000       2.46422000      -5.19927000       0.74492276       0.59749383      -0.22036526
O       -0.18582000       0.45711000      -1.75542000       0.03864819      -1.37076893       0.37725440
O        0.64031000       1.59311000      -4.29523000      -0.25749267      -0.23227026       1.17603551
O       -0.95142000       0.64117000      -5.78061000      -0.95167734      -0.08940368      -1.21166899
O       -1.61153000       2.64582000      -7.78303000      -0.01062662       1.09890877      -0.54399624
O       -1.71063000       0.73044000     -10.42112000      -0.03238732      -0.00957929      -0.11504052
O       -1.50812000       2.46569000     -13.20858000      -0.00425979       0.34350247       0.56803334
O       -2.00987000       1.02129000     -15.84376000       0.16251088      -0.24869553       0.70066599
Zn      -0.15114000       2.19207000      -2.51941000       0.00916401       0.94635158       0.84987053
Zn      -1.66426000       0.89870000      -8.39827000       0.18863211      -1.21607144       0.17654991
Zn       1.48362000       2.58754000     -11.09752000       0.24137947      -0.00643469      -0.54254759
Zn      -1.46128000       0.61904000     -13.87776000      -0.51181832       0.05850131       0.18454978
Zn      -0.41054000       0.07936000     -16.39690000       0.38300464       0.12846585      -1.39934084
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.25369728 magmom=2.1223863 free_energy=-65.26100514 stress="-0.013369458105876263 -0.0009349033125025114 0.022814905488851834 -0.0009349033125025114 -0.0038439290899931226 -0.0030915701026312217 0.022814905488851834 -0.0030915701026312217 -0.0019755913479872944" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.92985000       2.52878000      -5.14159000      -2.63833860      -0.10155604       0.51244858
O       -0.08854000       0.21437000      -1.89375000      -1.99163216       0.79428802       2.10413131
O        0.58704000       1.61038000      -4.15986000      -0.02708178       0.18759910      -0.42735267
O       -1.23018000       0.75569000      -5.80551000       2.34019480       0.12402467      -1.35004135
O       -0.09714000      -0.01795000      -7.85733000       0.55516481      -0.44606831      -0.45619794
O       -1.65458000       0.73102000     -10.49247000      -0.13160008      -0.28062469       0.61153290
O       -1.39280000       2.45152000     -13.16235000      -0.81641169       0.14534500      -0.03964069
O       -1.93785000       1.02212000     -15.83865000      -0.38854732       0.46296446      -0.03232933
Zn      -0.25884000       2.10926000      -2.48096000       1.82669969      -0.88247813       0.23089748
Zn      -1.68411000       0.87463000      -8.37805000      -0.26889785       0.24378205      -0.02470580
Zn      -1.67839000       2.55295000     -11.04352000       0.29096025       0.34281648      -1.01443228
Zn      -1.46883000       0.59532000     -13.90625000       0.32155352       0.18358007       0.92038844
Zn      -0.38353000       0.18728000     -16.49453000       0.92793641      -0.77367268      -1.03469866
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.5537017 magmom=2.2127573 free_energy=-65.56599422 stress="0.0009384590752854905 -0.014656685995252291 -0.0011510847905639343 -0.014656685995252291 0.0200727601267467 -0.009455164432767636 -0.0011510847905639343 -0.009455164432767636 -0.026940733836477663" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.94436000       2.60559000      -5.09976000      -2.11525304       0.62001333      -1.03048327
O       -0.33030000       0.04756000      -1.67050000       0.74371891       0.26021361      -2.14083377
O        0.47723000       1.67347000      -4.15996000       0.72627499      -0.02196693       0.47526155
O       -1.20255000       0.86332000      -5.90522000       0.96919279      -0.56971081      -0.25977398
O       -0.06659000      -0.00238000      -8.05862000      -0.43086017      -0.90268310       0.10102419
O       -1.61742000       0.68087000     -10.44936000       0.13712795       0.19540802       0.04083668
O       -1.45576000       2.48060000     -13.12306000      -0.31819168      -0.02423517      -0.06533371
O       -1.92616000       1.11291000     -15.83973000       0.27565395      -0.11569421       0.22114435
Zn      -0.29710000       1.99615000      -2.41161000      -0.54762316      -0.52062892       0.43456830
Zn      -1.71237000       0.85828000      -8.36260000       0.71573148       0.73816841      -0.11009148
Zn      -1.60675000       2.54091000     -11.04156000      -0.11123579      -0.06178112      -0.74953273
Zn      -1.46267000       0.58080000     -13.88365000      -0.11578817       0.38646417       0.12466026
Zn      -0.30803000       0.26039000     -16.63800000       0.07125195       0.01643271       2.95855361
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.48291414 magmom=2.248853 free_energy=-65.49548857 stress="0.015021164413186277 -0.012407128541218072 -0.02312500475852656 -0.012407128541218072 -0.013771048574521804 -0.008799894135866298 -0.02312500475852656 -0.008799894135866298 -0.006094635200159326" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.05720000       2.71970000      -5.13482000      -0.59353821       0.34615511      -0.64795382
O        1.09690000       2.76873000      -1.78795000       1.97155905       0.69714668       0.79846489
O        0.42204000       1.76129000      -4.19103000       0.56255290       0.07861010       0.57487445
O       -1.04645000       0.90652000      -5.91298000      -0.62358985      -0.57852630      -0.34442960
O        1.53042000       2.63330000      -8.27387000      -0.01128047       1.85547120       0.62334308
O       -1.54676000       0.65943000     -10.42101000       0.02423721       0.23385540      -0.76978771
O       -1.59450000       2.50319000     -13.11274000       0.95374937      -0.32984447      -0.01709876
O       -1.86522000       1.20313000     -15.83662000       0.32243251      -0.27222393      -0.02953595
Zn      -0.36408000       1.82354000      -2.31162000      -1.49159643      -0.35644735      -1.29685256
Zn      -1.71174000       0.86643000      -8.35887000       0.40060734      -1.96739123      -0.10706443
Zn      -1.52870000       2.52606000     -11.07902000      -0.24718075      -0.08612227      -0.05263261
Zn      -1.46551000       0.58956000     -13.84096000      -1.15495506       0.74084210      -0.34190235
Zn      -0.20635000       0.33976000     -16.64780000      -0.11299761      -0.36152503       1.61057537
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.22829893 magmom=2.3043357 free_energy=-65.2402505 stress="-0.009532834770971587 0.020105580965171954 -0.01306071577149305 0.020105580965171954 -0.019082270970059583 0.004304736775247795 -0.01306071577149305 0.004304736775247795 0.004269606047917686" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.79770000       0.06022000      -5.20520000       1.64009423      -1.18959168       1.74053209
O        1.25722000       2.70610000      -1.87317000      -0.62716467      -0.84374979       2.06424811
O        0.45788000       1.85619000      -4.20112000      -0.36804994      -0.16352444      -0.13534225
O       -1.05504000       0.88594000      -5.85960000      -2.06219216       1.12189985      -1.72280874
O        1.51124000       2.72194000      -8.31689000       0.67532123      -0.90058683       0.62359043
O       -1.46733000       0.68444000     -10.57040000      -0.16941211      -0.21193966      -0.09875036
O       -1.56332000       2.47647000     -13.15092000       0.26686335       0.40110323      -0.37067022
O       -1.72805000       1.24328000     -15.85918000       0.16225269      -0.03384620       0.20446842
Zn      -0.49632000       1.65537000      -2.26459000       1.23341124       1.60330725      -1.78243142
Zn      -1.68352000       0.80441000      -8.37206000      -0.17336510       0.70446170      -0.50658657
Zn      -1.46075000       2.50787000     -11.11727000      -0.15800253       0.36336470       0.03567021
Zn      -1.52310000       0.63437000     -13.80438000      -0.32238403       0.05251966      -0.11371249
Zn      -0.10400000       0.40660000     -16.53649000      -0.09737220      -0.90341779       0.06179279
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.54767088 magmom=2.2989603 free_energy=-65.56255461 stress="-0.006876703315330265 0.0009330712298457727 0.012200332863576387 0.0009330712298457727 -0.004987272873829717 -0.005987384427823003 0.012200332863576387 -0.005987384427823003 0.007234597833672246" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.86965000       0.13637000      -5.22111000      -0.18531684      -0.97756614      -0.02677364
O        1.25538000       2.56672000      -1.57930000      -0.79397722       0.61597676      -0.34789201
O        0.42720000       1.88983000      -4.27755000      -1.23680180       0.35473790       1.22755379
O       -1.32986000       0.99150000      -5.96937000       0.71266841       0.25602416      -0.55980589
O       -1.62672000       2.66282000      -8.20996000      -0.40737502      -0.51600680      -0.13856819
O       -1.42458000       0.66748000     -10.74315000       0.06461907      -0.07612894       0.73913229
O       -1.48648000       2.52396000     -13.25320000      -1.00289025       0.19099262       0.50550239
O       -1.58894000       1.26690000     -15.84768000      -0.50727140      -0.11152235       0.92277022
Zn      -0.54798000       1.56779000      -2.30555000       1.31813896       0.17174537      -0.67547233
Zn      -1.65560000       0.77115000      -8.41382000       0.75173800       0.50601281      -0.18684328
Zn      -1.41081000       2.50911000     -11.14852000      -0.30317301       0.18623688      -0.47692749
Zn      -1.58895000       0.68121000     -13.77907000       1.04260359       0.27318625      -0.74441485
Zn      -0.01431000       0.41824000     -16.42393000       0.54703751      -0.87368853      -0.23826101
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.64087497 magmom=2.3115319 free_energy=-65.65278335 stress="0.01514000953770502 0.0005266262901643759 -0.00014442485116557258 0.0005266262901643759 0.0034797135207329574 -0.006215478905832254 -0.00014442485116557258 -0.006215478905832254 0.007837792024283669" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.93535000       0.16904000      -5.24350000      -1.26583317      -0.49342079       0.14744660
O        1.06055000       2.57095000      -1.41697000       0.45127681      -0.02274267      -1.15842221
O        0.17307000       1.93617000      -4.22189000      -0.33250687       0.34164667       0.36346348
O       -1.50448000       1.10038000      -6.03602000       1.13117006      -0.28272519       0.12747678
O       -1.59854000       2.54919000      -8.12137000       0.05261179       1.23830224      -0.49079228
O       -1.38261000       0.64330000     -10.74526000      -0.16228694       0.35874802       0.96024431
O       -1.59926000       2.62497000     -13.24761000       0.09280369      -0.06494915       0.66760641
O       -1.54811000       1.25716000     -15.68002000       0.12618428      -0.14388604      -0.14410499
Zn      -0.52039000       1.49795000      -2.36553000       0.05523783       0.66655948       0.73994992
Zn      -1.59972000       0.75841000      -8.47148000       0.16964887      -1.09193925      -0.12982565
Zn      -1.38164000       2.51966000     -11.20040000      -0.17362204      -0.21074786      -0.41043769
Zn      -1.60087000       0.73485000     -13.78933000       0.12386017       0.27522339      -0.00244790
Zn       0.09023000       0.38302000     -16.32693000      -0.26854448      -0.57006885      -0.67015679
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.34792021 magmom=2.1003213 free_energy=-65.35796528 stress="0.004908864701865958 0.0023301778789755765 -0.017934275770203525 0.0023301778789755765 0.014302529354446564 0.013983960924865346 -0.017934275770203525 0.013983960924865346 -0.0314625838285107" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.05093000       0.18624000      -5.28650000      -1.68467688       0.25819988       0.87425114
O        0.95725000       2.56537000      -1.54344000       0.95707641      -0.22585766       0.68897567
O       -0.19151000       2.03180000      -4.18601000       1.28931807      -0.22217435      -0.20262924
O       -1.54624000       1.10670000      -5.91112000       0.27820407      -0.24402974      -1.17978765
O       -1.55100000       2.65147000      -8.10644000       0.36428957      -0.69756008       0.30117356
O       -1.37640000       0.69382000     -10.53341000      -0.15766673      -0.02684517      -0.47518286
O       -0.08979000      -0.07106000     -13.08295000       0.90581252      -0.19330155      -0.93755975
O       -1.48504000       1.22446000     -15.60012000       0.40649111       0.06019366      -1.31282907
Zn      -0.48907000       1.46235000      -2.37153000      -0.50434494       0.70075492       0.64027144
Zn      -1.53015000       0.70427000      -8.54926000      -0.25266167       0.81863483       0.14996368
Zn      -1.36246000       2.52226000     -11.27063000       0.01361801       0.09135207       1.63761865
Zn      -1.60404000       0.80789000     -13.78872000      -0.80235195       0.17931293       1.30956734
Zn       0.18704000       0.30963000     -16.25764000      -0.81310760      -0.49867973      -1.49383292
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.2567368 magmom=2.0390847 free_energy=-65.26207606 stress="0.0013803679078126267 -0.004483473342915978 -0.014391138380540774 -0.004483473342915978 -0.0018267197835770594 0.018376472779448514 -0.014391138380540774 0.018376472779448514 -0.011044392984067192" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03319000       0.21780000      -5.31238000      -1.05811977      -0.55320411       0.72965581
O        1.06752000       2.49948000      -1.60575000       0.68494940      -0.16293105       0.40167056
O       -0.37338000       2.12592000      -4.23851000       1.67246933      -0.81272279       0.80836728
O       -1.64223000       1.02880000      -5.85789000      -0.51986405       0.97044812      -1.67211428
O       -1.43647000       2.65497000      -7.99301000      -0.46647066      -0.57085585      -0.07551779
O       -1.40495000       0.75834000     -10.49042000       0.22320730      -0.40718635      -1.92379519
O       -0.00987000      -0.01077000     -13.13437000      -0.11630210       0.03444056      -0.20667139
O       -1.33484000       1.16597000     -15.76889000      -0.43110029      -0.76820906       1.25068887
Zn      -0.48261000       1.46672000      -2.32930000      -0.37516084       0.76189733       0.07087433
Zn      -1.45870000       0.68290000      -8.61399000       0.34508295       0.68488956       1.91748679
Zn      -1.34191000       2.52967000     -11.25415000      -0.31579922       0.52159647       1.26221082
Zn      -1.64774000       0.90283000     -13.72402000       0.42906441       0.12623484      -0.91764135
Zn      -2.96240000       0.19272000     -16.26566000      -0.07195646       0.17560232      -1.64521446
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.38016695 magmom=2.1017582 free_energy=-65.38659001 stress="-0.008156143037135999 0.00087786333400478 0.008838662876586646 0.00087786333400478 -0.008007999463625678 -0.003933216075050094 0.008838662876586646 -0.003933216075050094 0.02270933171015349" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.27292000       0.21930000      -5.32089000      -0.14057230      -0.63174280       1.23976176
O        1.30260000       2.41986000      -1.59135000      -1.41653958       1.28619207       0.45692482
O       -0.29656000       2.10370000      -4.24332000      -0.00235698      -0.47708323      -0.38742870
O       -1.89482000       1.04704000      -5.98398000       0.37572706       0.65887482      -0.03337927
O       -1.39713000       2.54119000      -7.88072000      -0.14022429       0.29465513      -1.74961368
O       -1.37995000       0.73351000     -10.78542000       0.48393930      -0.15265244       1.50244947
O        0.03881000       0.05298000     -13.26696000      -0.77372380       0.10632017       1.14874851
O       -1.26333000       0.97406000     -15.75465000      -0.66165838       0.20147029       0.29116090
Zn      -0.48601000       1.50573000      -2.27280000       1.67969385      -0.67135511      -0.69604453
Zn      -1.37159000       0.70004000      -8.59287000      -0.11459463      -0.11289188       0.82890920
Zn      -1.33776000       2.56663000     -11.16576000      -0.67646333       0.32989592      -0.98959125
Zn      -1.66960000       1.01203000     -13.69268000       1.24481491      -0.33838917      -1.19244559
Zn      -2.89743000       0.07495000     -16.35406000       0.14195817      -0.49329377      -0.41945166
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.63793754 magmom=2.2032249 free_energy=-65.64860705 stress="0.00029605061879080447 0.01297814172298775 0.008742727847948386 0.01297814172298775 -0.006356679786598469 -0.013136918481241143 0.008742727847948386 -0.013136918481241143 0.0026220295412264704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.45754000       0.19441000      -5.29990000       0.92155022       0.16306177       0.49097891
O        1.27661000       2.54956000      -1.55569000      -0.20804443      -0.46785076      -0.35240563
O       -0.24625000       1.99187000      -4.32232000      -1.45342499      -0.01471154       1.51458350
O       -2.05654000       1.13361000      -5.97564000       0.60079063      -0.60196873      -0.72902047
O       -1.39074000       2.52389000      -8.07509000       0.57462082       0.53319359      -0.59598895
O       -1.31615000       0.70442000     -10.75276000      -0.89453873       0.80861418       1.41555828
O       -0.03663000       0.12884000     -13.16644000       0.57849247       0.04160173       0.39101486
O       -1.32218000       0.84635000     -15.69345000       0.21017463       0.38117812      -0.53251506
Zn      -0.42320000       1.51794000      -2.24840000       0.49144087       0.85269558      -1.04108086
Zn      -1.31012000       0.70900000      -8.53766000      -0.74562152      -0.37921245      -0.09065405
Zn      -1.35666000       2.60861000     -11.13709000       0.58267046      -0.56755399      -0.82523816
Zn      -1.63385000       1.08213000     -13.72459000      -0.05362376      -0.43057897      -0.46646724
Zn      -2.84246000      -0.04003000     -16.43858000      -0.60448667      -0.31846852       0.82123487
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.81680672 magmom=2.1930969 free_energy=-65.82865495 stress="0.008389384244845923 -0.006406784006668736 -0.004386327904654443 -0.006406784006668736 0.004411698141288968 -0.0009342538335458903 -0.004386327904654443 -0.0009342538335458903 -0.014498305454239718" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.57957000       0.17130000      -5.26471000       1.27582239      -0.46490271       1.58082564
O        1.17724000       2.59380000      -1.59841000       0.78023422      -0.47119448       0.34820003
O       -0.43183000       1.90373000      -4.21751000      -0.39434292       0.53307872      -0.13428790
O       -2.07186000       1.09863000      -5.95037000      -0.68879942      -0.30793552      -1.24063406
O       -1.27880000       2.60633000      -8.37238000      -0.54060985      -0.55988133       0.97233978
O       -1.39368000       0.81810000     -10.46072000       0.20830287      -0.22394757      -1.22132810
O       -0.00305000       0.20388000     -13.01560000       0.31365417      -0.20973519      -0.90839764
O       -1.33913000       0.81355000     -15.74931000       0.27694721       0.01203840       0.33831906
Zn      -0.33397000       1.56611000      -2.27342000      -0.45909169       0.64222016      -0.63126117
Zn      -1.29377000       0.70473000      -8.49029000       0.29786360       0.70228417       0.11753652
Zn      -1.35646000       2.62443000     -11.14745000      -0.22679676       0.30452586       0.67275891
Zn      -1.59810000       1.12049000     -13.77649000      -0.04302796      -0.11101503       0.00972197
Zn      -1.22447000       2.62997000     -16.48922000      -0.80015586       0.15446452       0.09620696
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.80120026 magmom=2.1790902 free_energy=-65.81281953 stress="0.01681262789026961 -0.009183058833210007 -0.007476500552116907 -0.009183058833210007 -0.0038559534821543196 0.0034566376940606525 -0.007476500552116907 0.0034566376940606525 -0.015907566893139376" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.64929000       0.12844000      -5.15892000       0.47955881      -0.91079094      -0.23561349
O        1.26043000       2.53935000      -1.62271000       0.70790302       0.64906990       0.02458340
O       -0.71170000       1.90457000      -4.19928000       0.75546148       0.28060158      -0.11457377
O       -2.15033000       0.97320000      -6.00776000      -0.87028378       0.38385047      -0.11785075
O       -1.26740000       2.57720000      -8.45024000      -0.25508984       0.34131166       0.98690573
O       -1.45004000       0.89977000     -10.43631000       0.51371044      -0.71219701      -1.31706111
O        0.11097000       0.22897000     -13.06699000      -0.26879174      -0.28805816      -0.24141840
O       -1.29695000       0.76326000     -15.78032000      -0.16511582      -0.71049296       0.42912921
Zn      -0.26621000       1.65187000      -2.32460000      -0.58826039      -0.46364109       0.06441206
Zn      -1.26606000       0.73645000      -8.43828000      -0.06348325      -0.17592712       0.21532008
Zn      -1.36537000       2.65653000     -11.12384000      -0.42828983       0.78945940       0.08132777
Zn      -1.56167000       1.15268000     -13.82422000       0.45684386      -0.14780109       0.12873545
Zn      -1.25192000       2.51941000     -16.50129000      -0.27416295       0.96461536       0.09610382
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.43304624 magmom=2.3824811 free_energy=-65.44637061 stress="-0.013000699554334678 0.022080971673606887 0.011289155062672602 0.022080971673606887 -0.008976830134257319 -0.005581200982407945 0.011289155062672602 -0.005581200982407945 -0.013858953826771507" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.72585000       0.03955000      -5.06524000      -1.58221201       0.00706995      -2.16405657
O        1.51449000       2.62285000      -1.69563000      -1.33190186       0.76083869       0.11022848
O       -0.87302000       1.91897000      -4.27266000       1.84079457      -0.99111035       1.82416014
O       -2.40175000       0.86272000      -5.93598000       0.39681836       0.78998118       0.15997140
O       -1.33195000       2.58820000      -8.28606000       1.13038249       0.37963896      -0.22119442
O       -1.38821000       0.84536000     -10.76999000      -0.16029175       0.58904776       0.77987604
O       -3.02257000       0.18762000     -13.25512000      -0.37856289       0.21170432       0.44162470
O       -1.28148000       0.55338000     -15.77144000      -0.49638885       0.40684608      -0.40442936
Zn      -0.20610000       1.73461000      -2.37758000       1.11249525      -0.63546994      -0.07964980
Zn      -1.23116000       0.77391000      -8.36661000      -1.39020969      -0.35888661      -0.16278696
Zn      -3.00555000      -0.04817000     -11.05794000       0.23505998      -0.44411371      -0.89143036
Zn      -1.48720000       1.18263000     -13.86775000       0.50194033      -0.73673724       0.17687484
Zn      -1.30629000       2.42926000     -16.49472000       0.12207606       0.02119093       0.43081187
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.04543887 magmom=2.3671833 free_energy=-65.06173106 stress="-0.032213022559416445 0.0003973175627055062 0.02000440400509432 0.0003973175627055062 -0.01800946753023548 -0.0062025364750597665 0.02000440400509432 -0.0062025364750597665 -0.02578670554396845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.73735000       2.73339000      -5.10885000      -0.63796881      -0.03367457       0.85784811
O       -0.05232000       0.04154000      -1.76667000      -0.30683519      -1.18087896       1.06060300
O       -0.79833000       1.78579000      -4.16496000      -0.98080953       0.05283755      -0.42332841
O       -2.58847000       0.88460000      -5.72185000       1.77207190       0.04371472      -1.73438785
O       -1.21497000       2.67590000      -8.14726000      -0.89987068      -0.59266199      -0.47396099
O       -1.39792000       0.90278000     -10.98150000      -0.35880133       0.78667928       1.05031492
O       -3.01122000       0.19501000     -13.37207000       0.21187859       0.22228074       0.32370434
O       -1.36495000       0.41664000     -15.85050000      -0.03320907       0.94059121       0.11024723
Zn      -0.09375000       1.79543000      -2.41283000       0.51914705       0.96738199       1.00871911
Zn      -1.25560000       0.79292000      -8.30739000       0.71738134       0.51163869      -0.23428203
Zn      -3.02369000       0.01749000     -11.05374000       0.43827703      -0.67248565      -0.90306286
Zn      -1.38502000       1.17270000     -13.89931000      -0.18197413      -0.82393932       0.11696057
Zn      -1.35793000       2.34177000     -16.46287000      -0.25928718      -0.22148369      -0.75937514
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.03053114 magmom=2.3821669 free_energy=-65.0444059 stress="-0.007959349278004395 -0.009432353832784127 0.0003298012985211075 -0.009432353832784127 -0.04440419899179195 -0.005982731164316838 0.0003298012985211075 -0.005982731164316838 -0.016780259361527692" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.58663000       2.65274000      -5.10851000       1.56230827       0.75282653       0.72293727
O       -0.10366000       0.04446000      -1.68763000       1.02815465       0.06315597       0.23671116
O       -0.89243000       1.66853000      -4.17982000      -0.21802426       0.56109592       1.02297096
O       -2.47581000       0.88842000      -5.73085000      -0.79006171      -1.15220070      -1.77810366
O       -1.24897000       2.64852000      -8.12710000      -0.27901723       0.60407502      -0.39472083
O       -1.48617000       1.07634000     -10.92942000       0.83147654      -1.51768843       0.94750368
O       -2.94956000       0.23080000     -13.39133000       0.39153240      -0.68876745       0.46266355
O       -1.45659000       0.47846000     -15.91165000       0.29265838      -0.48323545       0.61101596
Zn       0.04213000       1.88972000      -2.38643000      -1.20245836      -0.34691237       0.12305537
Zn      -1.25578000       0.83096000      -8.26936000       0.04550132      -0.59732513      -0.28580319
Zn      -3.01623000       0.05575000     -11.10430000      -0.65849398       1.51131914      -0.90549965
Zn      -1.30143000       1.12122000     -13.92207000      -0.60263571       0.12678084       0.06351704
Zn      -1.41958000       2.25417000     -16.46576000      -0.40094032       1.16687611      -0.82624765
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.29943674 magmom=2.2159835 free_energy=-65.31043033 stress="0.0009528316729760636 0.016009474203407374 -0.004697764455108444 0.016009474203407374 0.006032160920669453 0.004124312615859137 -0.004697764455108444 0.004124312615859137 -0.013155746598945754" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.49028000       2.59401000      -5.07681000       1.96840376      -0.41560785      -0.39576472
O       -3.15104000       0.02171000      -1.59812000       0.42732481       0.75768319      -0.93124629
O       -1.02611000       1.65245000      -4.11901000       0.43168182      -0.09270007       0.55592555
O       -2.42452000       0.72963000      -5.96016000      -1.63739010       0.64623873       0.08027002
O       -1.36180000       2.68642000      -8.20435000       1.36902374      -0.09458385      -0.04459763
O       -1.39607000       1.02485000     -10.64663000      -0.38372713       0.54225318       0.18657134
O       -2.82048000       0.12619000     -13.29483000      -0.48804513      -0.15902524       0.53908169
O       -1.49200000       0.45790000     -15.85283000       0.11644389      -0.45182560       0.38425737
Zn       0.12961000       1.98425000      -2.33185000      -0.93944467      -0.81011041      -0.11777950
Zn      -1.25261000       0.85300000      -8.25342000      -1.67726767       0.09569066      -0.71465117
Zn      -3.04232000       0.15601000     -11.21219000       0.61164821      -0.63045864      -0.18715260
Zn      -1.23862000       1.06492000     -13.93966000       0.14834319      -0.21692016       0.15422924
Zn      -1.50875000       2.22084000     -16.50569000       0.05300529       0.82936607       0.49085670
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.87946748 magmom=2.0280525 free_energy=-64.88585442 stress="0.02082361969764676 0.010777811026463333 0.012194856600918392 0.010777811026463333 0.027600948182553833 -0.008036609430470102 0.012194856600918392 -0.008036609430470102 -0.010416587817681879" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.46949000       2.52817000      -5.08450000       1.26539819       0.07833886      -0.39682622
O       -2.90380000       0.18224000      -1.65831000      -1.50836734       0.19225156       1.19560128
O       -1.03395000       1.62204000      -4.03754000      -0.08932379      -0.42425550      -0.26192377
O       -2.59277000       0.63711000      -5.98250000      -0.73380139       0.38744296       0.74932070
O       -2.87671000      -0.05597000      -8.28522000      -0.99155702      -0.31228572       0.84525981
O       -1.34541000       1.02556000     -10.35984000      -0.31671125       0.30770590      -1.91684662
O       -2.77186000      -0.02508000     -13.13718000      -0.06037223       0.29367609      -1.44257915
O       -1.51222000       0.33491000     -15.74087000      -0.30099893       0.65965892      -0.46250617
Zn       0.17754000       2.03517000      -2.28208000       0.99786296      -0.50970756      -1.12831303
Zn      -1.31759000       0.87073000      -8.28469000       0.80710319       0.25328565      -0.80421275
Zn       0.16879000       0.24823000     -11.31356000       0.30545923      -0.28058697       2.85183569
Zn      -1.17048000       0.99508000     -13.93948000      -0.03374304      -0.52703403       0.78150749
Zn      -1.59646000       2.23602000     -16.52537000       0.65905143      -0.11849016      -0.01031726
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.01440855 magmom=2.0858008 free_energy=-65.02266092 stress="0.015583263334309165 0.0019409392632675222 0.017441461963192816 0.0019409392632675222 0.003027075583950501 0.0006747635597504782 0.017441461963192816 0.0006747635597504782 -0.011053294574450452" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.49702000       2.46593000      -5.12739000      -0.97521880      -0.06337900       1.99821430
O       -2.92519000       0.34539000      -1.55830000      -0.17091744      -1.42986533      -0.31891001
O       -1.02819000       1.50906000      -4.07316000      -0.74781615       0.22817459       0.66448771
O        0.37944000       0.62136000      -5.67182000       1.95108961       0.02788540      -2.28476916
O       -2.94775000      -0.06601000      -8.20532000      -0.29394182       0.63780268       0.90895660
O       -1.38772000       1.10942000     -10.49396000      -0.15020301       0.31485822      -0.76119323
O       -1.15272000       2.68221000     -13.24676000      -0.03144051       0.56453771       0.60587723
O       -1.59463000       0.35165000     -15.75182000       0.06807237       0.75735837      -0.32737847
Zn       0.27076000       2.07645000      -2.28246000      -0.27353822       1.04909030      -0.68814253
Zn      -1.36110000       0.90139000      -8.38264000       0.24728341      -0.51077855      -1.10947807
Zn       0.19085000       0.31427000     -11.27710000       0.33823960      -0.73776556       0.75720546
Zn      -1.09858000       0.88633000     -13.89386000      -0.43712079      -0.55773000      -0.17554399
Zn      -1.65500000       2.24747000     -16.52803000       0.47551177      -0.28018883       0.73067416
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.77185983 magmom=2.1345455 free_energy=-64.78103534 stress="-0.005547297248390857 -0.003126578577522082 -0.01306273557377826 -0.003126578577522082 -0.006675570964616587 0.003267740236644951 -0.01306273557377826 0.003267740236644951 -0.010778037455931401" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.49361000       2.39984000      -5.07971000      -0.70280729       0.60111070       1.39080549
O       -3.00042000       0.27690000      -1.54206000       0.91869483       0.33242034      -0.85235407
O       -1.17199000       1.43216000      -4.05114000       0.19833773       0.38829502       0.74741795
O       -2.78381000       0.59261000      -5.59303000       0.71065297      -0.79642591      -2.01024148
O       -3.10468000      -0.00807000      -7.96079000       0.89680242      -0.20384302      -0.74142817
O       -1.43315000       1.26461000     -10.83815000       0.76150548      -0.18467574       1.61127714
O       -1.11929000       2.68043000     -13.29862000       0.48374314      -0.51480301       0.65215525
O       -1.66764000       0.51880000     -15.84089000       0.51660653      -0.79141485       0.77281061
Zn       0.35989000       2.16244000      -2.31550000      -1.35323491      -0.60508062      -0.04471250
Zn      -1.39396000       0.92207000      -8.54562000      -0.97642566       0.38125172      -0.00796964
Zn       0.22404000       0.34650000     -11.17754000      -0.56417057      -0.40422492      -1.01319355
Zn      -1.04973000       0.74610000     -13.84521000      -1.12522097       0.62814376      -0.69813799
Zn      -1.69067000       2.24951000     -16.48862000       0.23551631       1.16924654       0.19357096
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.84200774 magmom=2.0726266 free_energy=-64.84697254 stress="0.01291544820424832 0.002242452856543393 -0.01678260469596287 0.002242452856543393 0.012328229405904962 0.003543915836922441 -0.01678260469596287 0.003543915836922441 -0.00014426337084146772" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.46308000       2.36047000      -4.97798000       0.43272253       0.10646285      -1.04183608
O       -2.87936000       0.26855000      -1.69998000       0.13170860       0.38641887       0.99901495
O       -1.27972000       1.43732000      -3.95780000       1.06060030      -0.25884523      -0.04555164
O       -2.61130000       0.49438000      -5.75439000      -1.40829209       0.11281779       0.12388840
O       -3.09746000       0.01842000      -7.93785000       0.19954190       0.17358941      -1.47419757
O       -1.35450000       1.31265000     -10.81969000      -0.26482138      -0.89026359       1.91300052
O       -1.03882000       2.59705000     -13.21420000      -0.66852431      -0.26684819       0.25940899
O       -1.62894000       0.52536000     -15.79565000       0.06978805      -0.25591630       0.20851451
Zn       0.36832000       2.21082000      -2.34011000      -0.62975030      -0.73959926       0.33732617
Zn      -1.46386000       0.95221000      -8.68584000      -0.13304245       0.09837188       1.04980353
Zn       0.23449000       0.36093000     -11.13938000       0.36692302       0.15847422      -1.45903890
Zn      -1.05505000       0.65279000     -13.83402000       0.07908284       0.59505686      -0.13281507
Zn      -1.70570000       2.30656000     -16.44058000       0.76406332       0.78028068      -0.73751780
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.75012797 magmom=2.0080261 free_energy=-64.75520375 stress="0.01564498466310413 0.0074892445902803185 0.00658039257540513 0.0074892445902803185 0.035778620025910195 0.0013013016186436167 0.00658039257540513 0.0013013016186436167 -0.06107129390712428" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.44809000       2.32975000      -4.95429000       0.78788554      -0.29379124      -1.12328217
O       -2.73983000       0.36965000      -1.66118000      -1.38439106      -0.17688952       1.29731521
O       -1.17325000       1.40996000      -3.93840000       0.28740942      -0.21736699       0.05697005
O       -2.65739000       0.40478000      -5.73996000      -1.03752999       0.51976563      -0.05838940
O       -3.06938000       0.05829000      -8.27069000      -0.73844473       0.04983827       0.83126847
O       -1.31100000       1.18706000     -10.47039000       0.19820085       0.73594507      -4.39250484
O       -1.08080000       2.45186000     -13.07265000      -0.22876153       0.34386554      -0.13253755
O       -1.58441000       0.46115000     -15.69759000      -0.46200146       0.92888446      -0.16180921
Zn       0.34271000       2.21345000      -2.34608000       0.85327963      -0.27591067       0.21476019
Zn      -1.54521000       0.98971000      -8.75747000       0.36349877      -0.29095747       4.29086822
Zn       0.26308000       0.37631000     -11.17942000       0.32174696      -0.89022351      -0.44253072
Zn      -1.06577000       0.59006000     -13.82505000      -0.15680547       0.02399765       0.62879023
Zn      -1.67174000       2.41429000     -16.43119000       1.19591306      -0.45715723      -1.00891848
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.65108885 magmom=2.3586778 free_energy=-64.66561304 stress="0.0011447794994562937 0.0024124657043553834 0.008667173256507926 0.0024124657043553834 0.01684364764761396 0.00041232558971565793 0.008667173256507926 0.00041232558971565793 -0.05688743675743443" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.45863000       2.28702000      -5.01585000      -0.37483156      -0.38838764       0.88780839
O       -2.86213000       0.43935000      -1.42193000       0.07221974      -0.41009775      -2.29554663
O       -0.99175000       1.32715000      -3.97233000      -1.25763977       0.20845434       1.17174316
O       -2.83739000       0.39115000      -5.58583000       1.73503908       0.34212549      -2.14835790
O        0.00020000       0.11502000      -8.54539000       0.09003674      -0.11196694       1.00377531
O       -1.27901000       1.16972000     -10.73456000      -0.33699797       0.36015788       0.61764700
O       -1.19059000       2.35180000     -13.00986000       0.36054087       0.36545784      -1.74013094
O       -1.60424000       0.59552000     -15.65411000       0.68124440       0.62380723       0.01609058
Zn       0.35240000       2.20321000      -2.32880000      -0.20930112       0.41128155       0.62428475
Zn      -1.60748000       1.02595000      -8.65919000       0.13005619       0.23987022      -0.34678207
Zn      -2.89787000       0.33557000     -11.25326000       0.09589827      -0.72976745       0.62497536
Zn      -1.08628000       0.52392000     -13.77606000      -0.60857161      -0.10569742       0.03425523
Zn      -1.57275000       2.51201000     -16.45724000      -0.37769326      -0.80523734       1.55023776
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.93570261 magmom=2.4855211 free_energy=-64.95158114 stress="0.004501291153779892 0.005309983786776275 -0.009247093402600224 0.005309983786776275 -0.01337473115123863 0.00486189582276546 -0.009247093402600224 0.00486189582276546 -0.023128735820334846" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.45938000       2.23326000      -5.03386000       0.37580789       0.38271510       1.09738784
O        0.22639000       0.40573000      -1.58334000       0.86860119      -0.42223109       0.62663942
O       -1.02540000       1.28622000      -3.90720000      -0.61373917       0.27964708      -0.44248287
O       -2.74945000       0.40821000      -5.71374000       0.33894281      -0.47847390      -1.00847878
O       -0.11970000       0.12626000      -8.58726000       0.96247379       0.24607073       0.32798363
O       -1.28083000       1.21139000     -11.01732000       0.36112006      -0.67709674       1.15161818
O       -1.20919000       2.35188000     -13.26800000       0.74320651       0.34604238       0.06981969
O       -1.51167000       0.84648000     -15.66062000       0.21808632      -1.00897357      -0.41786071
Zn       0.35285000       2.21417000      -2.27639000      -1.02935482       0.04637076      -0.29928434
Zn      -1.66721000       1.07470000      -8.54980000      -0.79322093      -0.21209909      -0.28538605
Zn      -2.84422000       0.26449000     -11.29598000      -0.58673124      -0.06253031       0.05853347
Zn      -1.14191000       0.45654000     -13.72497000      -0.91615614       0.56183055      -0.95224705
Zn      -1.48250000       2.57504000     -16.41332000       0.07096372       0.99872811       0.07375758
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.79564684 magmom=2.3402555 free_energy=-64.80958723 stress="-0.03318529429261786 -0.015713045686205036 -0.012447871046852315 -0.015713045686205036 -0.005371401597223956 0.00024009386668488828 -0.012447871046852315 0.00024009386668488828 -0.003482982386307456" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.46821000       2.19404000      -4.99990000       0.59424701       0.18298185      -1.07400079
O       -2.91808000       0.30786000      -1.73902000       0.04911433       0.37861459       1.27930469
O       -1.16880000       1.31016000      -4.01138000       0.52552534      -0.14590903      -0.18373410
O       -2.55844000       0.36955000      -5.90655000      -0.88413322       0.05081081       0.64202708
O       -0.07378000       0.17509000      -8.53130000      -0.96201466      -0.05572095       0.03394152
O       -1.22921000       1.11651000     -11.02201000      -0.00411300      -0.14045151       0.36529302
O       -1.15988000       2.40396000     -13.51951000      -1.68719331      -0.91269627       1.15892646
O       -1.36771000       0.86903000     -15.77713000      -0.12691466      -0.68882473      -0.36724708
Zn       0.30060000       2.22308000      -2.22788000      -0.22292195      -0.58943377      -0.35038658
Zn      -1.74900000       1.11075000      -8.47341000       1.07344084      -0.03656910      -0.00146722
Zn      -2.82281000       0.19276000     -11.32665000      -0.24475834      -0.34619854       0.10380320
Zn      -1.21869000       0.43259000     -13.72465000       1.53971964       1.75122542      -1.02129628
Zn      -3.00192000      -0.11305000     -16.32808000       0.35000198       0.55217122      -0.58516392
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.51252571 magmom=2.2308188 free_energy=-64.52277755 stress="-0.0637658671482719 0.02387020241932119 -0.017496907111278704 0.02387020241932119 -0.01500953130123218 -0.0041439390350639675 -0.017496907111278704 -0.0041439390350639675 -0.01701323962422408" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.49321000       2.16557000      -5.03027000       0.52810174       0.52713326      -1.59230575
O       -2.86409000       0.32039000      -1.64874000      -1.24203122       0.24182522      -0.11153309
O       -1.16860000       1.32609000      -4.24459000       1.27109137      -0.60523152       2.01958544
O       -2.50531000       0.33180000      -5.86545000      -1.53864907       0.18047030      -0.59438523
O       -0.18829000       0.21880000      -8.46259000       0.39342939      -0.20614638       0.21545766
O       -1.19818000       0.98005000     -10.93562000      -0.47500808       0.52367158      -0.03922147
O       -1.32932000       2.32543000     -13.52666000       1.09717554       0.73812972       0.90131308
O       -1.28169000       0.76167000     -15.95297000      -0.21308844       1.57041217       1.04582217
Zn       0.24461000       2.19368000      -2.19022000       1.09600716      -0.42269618      -0.11807376
Zn      -1.78268000       1.14028000      -8.40936000      -0.21539785      -0.00286038      -0.14995273
Zn      -2.81479000       0.10264000     -11.34814000       0.11240060      -0.81796786       0.21300161
Zn      -1.24841000       0.49358000     -13.78238000      -1.04962115      -0.03572036      -0.87251350
Zn      -2.89586000       0.00905000     -16.29467000       0.23559000      -1.69101957      -0.91719442
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.03710799 magmom=2.144583 free_energy=-65.04675988 stress="-0.006218194717524617 0.003587946625466076 0.0011182213912879486 0.003587946625466076 -0.03390660987979884 0.001520011631916081 0.0011182213912879486 0.001520011631916081 -0.02373289709533627" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.54022000       2.15424000      -5.16410000       0.78949864       0.59645388       0.90773223
O        0.15223000       0.36677000      -1.57329000       0.79533689      -1.00371520      -0.15992347
O       -0.92438000       1.27007000      -4.20595000      -1.09424100      -0.12526602       1.05974418
O       -2.66611000       0.31918000      -5.81034000       0.55493713      -0.21361388      -1.53086008
O       -0.27377000       0.20479000      -8.33739000       0.83538673       0.55568670       0.31946503
O       -1.26355000       0.92422000     -10.85268000       0.26879979      -0.39502916       0.30595784
O       -1.35002000       2.40097000     -13.32294000       0.20803650       0.67921994      -0.60579973
O       -1.19376000       0.98077000     -15.92785000       0.23906635       0.06106452       1.18345660
Zn       0.23611000       2.14107000      -2.15066000      -0.72207734       0.68619696      -0.72027431
Zn      -1.82333000       1.17557000      -8.35230000      -0.67596809      -0.77903947      -0.59995718
Zn      -2.80607000      -0.04577000     -11.35537000      -0.58737582       0.33467036       0.73743856
Zn      -1.32418000       0.57100000     -13.90237000      -0.06982763      -0.13093116       0.02817787
Zn      -2.76814000       0.05864000     -16.30528000      -0.54157215      -0.26569749      -0.92515754
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.80298369 magmom=2.1075771 free_energy=-64.81141632 stress="0.007025292713595937 -0.007519945287919658 0.013328154101598036 -0.007519945287919658 -0.00594488844509795 0.01536427385746559 0.013328154101598036 0.01536427385746559 -0.03255738632857724" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.60269000       2.16071000      -5.24359000      -0.29834783       0.04301947       2.69594571
O        0.12078000       0.24871000      -1.54891000       0.99959304       0.14060001       0.40323289
O       -0.81126000       1.22174000      -4.03964000      -0.75570670       0.31538956      -0.74913154
O       -2.68605000       0.30395000      -5.90582000       1.41372116       0.03792005      -0.77481538
O       -0.22845000       0.25388000      -8.16459000      -0.84756357      -0.21386858      -0.07223664
O       -1.28964000       0.80988000     -10.73850000       0.21166192      -0.25678152       0.54487372
O       -1.32523000       2.62051000     -13.27389000      -0.61706014      -0.44747495      -0.56487602
O       -1.03840000       1.16981000     -15.71834000       0.07905625      -1.22675398      -1.56171191
Zn       0.19317000       2.11386000      -2.14675000      -0.92852967      -0.40453764      -1.46911415
Zn      -1.88622000       1.17900000      -8.33516000       0.92225155      -0.05868836      -0.96167757
Zn      -1.22477000       2.61495000     -11.33620000      -0.51232410       0.39272786       0.55148398
Zn      -1.40182000       0.63579000     -14.00075000       0.45308161       0.34623380       2.44333496
Zn      -2.67803000       0.10091000     -16.35995000      -0.11983352       1.33221427      -0.48530804
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.29583979 magmom=2.0814069 free_energy=-65.30211887 stress="-0.004190712405132606 0.028361132911370966 0.005585220289590685 0.028361132911370966 0.027089209558137626 -0.0004439957872090303 0.005585220289590685 -0.0004439957872090303 -0.009139761503128284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.64759000       2.16754000      -5.17472000       1.35488910      -0.04688394       0.78013166
O       -2.96181000       0.16105000      -1.53384000      -1.31545735       0.59087506      -1.02333145
O       -0.85099000       1.25710000      -4.08887000      -0.22841337       0.10845156      -0.22529381
O       -2.43438000       0.29773000      -5.95545000      -0.82560161       0.31195504       0.30498400
O       -0.32548000       0.25930000      -8.03689000       0.62065740      -0.39308007      -0.18868261
O       -1.28264000       0.66572000     -10.56960000      -0.32118119       0.38648287      -0.11091043
O       -3.02645000      -0.08219000     -13.33390000       0.03481995      -0.87408797       1.07311617
O       -0.91874000       1.09151000     -15.81841000      -1.12903173       0.47097810       0.11972265
Zn       0.12003000       2.07010000      -2.21149000       1.13710062      -0.90355350      -0.95764561
Zn      -1.90496000       1.17233000      -8.37549000      -0.27064487      -0.01921198      -0.63262628
Zn      -1.26999000       2.52688000     -11.26692000      -0.16474486       0.01182352      -0.10093243
Zn      -1.44452000       0.71512000     -13.96976000       0.28385009       0.86511864       0.42725241
Zn      -2.60127000       0.19919000     -16.41880000       0.82375783      -0.50886734       0.53421574
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.12863769 magmom=2.0339563 free_energy=-65.13358488 stress="0.0055128522569438815 0.01330815206837401 -0.01931518085974058 0.01330815206837401 -0.005362295722247004 -0.001536548965975275 -0.01931518085974058 -0.001536548965975275 -0.0011278754517699177" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.74181000       2.17645000      -5.07814000       1.45367223       0.32451819      -0.86797689
O       -3.05707000       0.18358000      -1.72302000      -0.13120699      -0.56687604       0.52403053
O       -0.88609000       1.31807000      -4.22558000       0.93213886      -0.27283691       1.86559840
O       -2.25931000       0.34493000      -5.78416000      -2.12386453       0.29469216      -1.00343672
O       -0.35307000       0.18062000      -7.95166000       0.64920924       0.41233138      -0.06920014
O       -1.34935000       0.60838000     -10.45698000      -0.33109485       0.26441063      -0.57836542
O       -1.52042000       2.62435000     -13.24486000       0.46844440       0.59809737       0.13565104
O       -0.97443000       1.10668000     -15.96673000       0.89301297       0.91462703       1.46995509
Zn       0.09746000       1.98743000      -2.31937000       0.12020919       0.36876485      -0.42603652
Zn      -1.92592000       1.16075000      -8.45681000      -0.15124230      -0.85225215      -0.06299242
Zn      -1.32589000       2.44527000     -11.19766000      -0.19110603       0.21017614       0.30663343
Zn      -1.47206000       0.82929000     -13.89388000       0.01417806      -0.48611680      -0.13931123
Zn      -2.50011000       0.27150000     -16.45233000      -1.60235024      -1.20953585      -1.15454915
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.32203544 magmom=2.0101931 free_energy=-65.32686076 stress="0.0331720864479113 -0.0018003483651881785 -0.001412110044940184 -0.0018003483651881785 -0.011016200898741762 4.716112382308457e-05 -0.001412110044940184 4.716112382308457e-05 -0.0075550155287848276" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.88647000       2.20746000      -5.05649000      -0.27842003       1.23999374       0.08664994
O        0.02079000       0.10999000      -1.81598000       0.83524308      -0.35984076       1.53783528
O       -0.74501000       1.35102000      -4.09674000      -0.28156091      -0.28367272      -0.31764268
O       -2.37642000       0.42431000      -5.65416000       0.55357255      -0.79020518      -1.46878175
O       -0.26830000       0.15544000      -7.89933000      -0.35851005       0.00169092      -0.33275073
O       -1.48183000       0.60924000     -10.46979000       0.27256734      -0.29650566       0.25440870
O       -1.50974000       2.67103000     -13.11003000       0.16312740       0.93683039      -0.18406080
O       -0.92943000       1.27883000     -15.83465000      -0.04307347      -0.79926949       0.39996135
Zn       0.09007000       1.92489000      -2.43822000      -0.40968175       0.47093885       0.66818033
Zn      -1.95170000       1.11037000      -8.53849000       0.63639741      -0.36111215       0.60206746
Zn      -1.39052000       2.38324000     -11.11985000      -0.54919384       0.78108632      -0.51044605
Zn      -1.49567000       0.91190000     -13.82625000       0.21875182      -0.80713834      -0.20033936
Zn      -2.46774000       0.28394000     -16.52932000      -0.75921954       0.26720406      -0.53508169
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.09132821 magmom=2.1259748 free_energy=-65.10065969 stress="0.021393908390003144 -0.0009700122944148257 0.004091676419998352 -0.0009700122944148257 0.024236766443771093 -0.0008473125948636986 0.004091676419998352 -0.0008473125948636986 -0.021314110315096668" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.01737000       2.28264000      -5.06327000      -1.68482978      -0.08196907      -0.14718994
O       -1.56696000       2.72626000      -1.65431000       0.05260734       0.33894267      -0.58012228
O       -0.68161000       1.32652000      -4.10269000      -0.43694530      -0.06170996      -0.24461253
O       -2.37584000       0.44600000      -5.69453000       1.94455034       0.02858300      -1.44428700
O       -0.28276000       0.11773000      -7.93616000      -0.29774982      -0.27375805      -0.40209179
O       -1.55569000       0.56123000     -10.46352000       0.47055478      -0.06428042       0.16107888
O       -3.06661000       0.11498000     -13.00715000      -0.24790220      -0.60793262       0.12473184
O       -0.85890000       1.31878000     -15.63832000      -0.45415029      -0.59384771      -1.04292505
Zn       0.07245000       1.89644000      -2.50012000       0.22242271      -0.04926598       1.92914050
Zn      -1.94307000       1.03782000      -8.58315000       0.47195870      -0.01707088       1.19886248
Zn      -1.48478000       2.36438000     -11.06887000      -0.52762341       0.61131703      -1.09273511
Zn      -1.50557000       0.95265000     -13.76748000       0.48196247       0.45573570      -0.33696184
Zn      -2.48743000       0.29859000     -16.62179000       0.00514447       0.31525628       1.87711185
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.14457526 magmom=2.1323484 free_energy=-65.15450116 stress="0.015077333620021328 0.025519748502873675 -0.01299040750551439 0.025519748502873675 0.03200450554845595 -0.008937758368268909 -0.01299040750551439 -0.008937758368268909 -0.009208276658433188" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.10288000       2.37248000      -5.13418000      -0.20827541      -0.89597454      -1.77419903
O       -1.51051000       2.60319000      -1.60704000      -0.47198377       0.60936600      -0.84583530
O       -0.71825000       1.29979000      -4.22373000       1.57748608       1.06548809       2.11172740
O       -2.06058000       0.45751000      -5.87829000      -1.12040449       0.10222075      -0.39116510
O       -0.37761000      -0.01242000      -8.07642000       1.03409666      -0.01590151       0.13941776
O       -1.55919000       0.49731000     -10.43675000      -0.81731916       0.64834958      -0.35155984
O        0.14814000       0.27087000     -12.90983000      -0.12804259      -0.76394553      -0.48523052
O       -0.89749000       1.19845000     -15.67183000      -0.63809906       0.01582823      -0.48385206
Zn       0.06489000       1.86126000      -2.45388000       0.20451255      -0.69703573       0.22089468
Zn      -1.90697000       0.94783000      -8.56271000      -0.67522491      -0.29551202       0.98270523
Zn      -1.62440000       2.38058000     -11.07142000       0.65217062      -0.16715486      -0.46508435
Zn      -1.48792000       1.02279000     -13.71596000       0.44416947       0.54340930      -0.57478715
Zn      -2.51018000       0.34044000     -16.60517000       0.14691400      -0.14913777       1.91696828
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.31122136 magmom=2.1039774 free_energy=-65.32189725 stress="-0.0168833429778131 0.009108205325523623 -0.02468993968982524 0.009108205325523623 0.01782683181067674 -0.003554232689499997 -0.02468993968982524 -0.003554232689499997 0.008601896489488458" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.19459000       2.44269000      -5.32914000       1.21757525      -0.95165399       1.77198237
O       -1.54773000       2.61390000      -1.76619000       0.18827749       1.02650563       1.38205519
O       -0.50942000       1.42272000      -4.14832000       0.38229409       0.09095043      -2.17771951
O       -1.88752000       0.47986000      -6.03108000      -1.68290377       1.01820210      -0.52260705
O        1.30699000       2.63680000      -8.20698000       0.24174786       0.52465864       0.48018901
O       -1.71692000       0.56008000     -10.48581000      -0.29289282       0.23156569      -0.19052107
O        0.12144000       0.26174000     -12.93857000       0.30766226      -0.46007080      -1.06750566
O       -1.03811000       1.08422000     -15.82642000       1.38223868       1.33971154       1.50496390
Zn       0.07240000       1.78426000      -2.36616000       0.13062049      -0.56450320       0.06673000
Zn      -1.89542000       0.81971000      -8.48757000       0.00170257      -0.90344785       0.13889324
Zn      -1.75627000       2.39532000     -11.09874000       0.30598561       0.20216618       0.32638433
Zn      -1.44422000       1.13394000     -13.68468000      -0.08951760       0.17730553      -0.57279547
Zn      -2.53915000       0.37463000     -16.47499000      -2.09279010      -1.73138992      -1.14004929
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.86504913 magmom=2.0739542 free_energy=-65.87428129 stress="0.006841409921789317 -0.00040241576467272845 0.000980485159754492 -0.00040241576467272845 -0.02674367838959294 0.0029530053981424316 0.000980485159754492 0.0029530053981424316 0.024570426480411165" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29907000       2.47015000      -5.42700000      -0.14691143      -0.04657451       0.80942671
O       -1.55027000       2.75851000      -1.69682000       0.34003051      -1.23494413       0.57428936
O       -0.26914000       1.53401000      -4.43538000      -0.15444251       0.21992056       0.84175864
O       -1.94963000       0.60112000      -6.09099000       0.64595204       0.11749108      -0.79628564
O        1.38510000       2.58251000      -8.16712000      -1.01063541      -0.55286207       0.25852811
O       -1.88865000       0.64037000     -10.54877000       0.60457300      -0.57449323       0.38081042
O        0.14757000       0.19475000     -13.12360000       0.05516832       0.99369548       0.69194887
O       -1.00246000       1.20479000     -15.74194000      -0.63268298       0.32520255       0.05664319
Zn       0.08364000       1.71146000      -2.29569000      -0.33925484       1.38643259      -1.20274960
Zn      -1.88200000       0.69270000      -8.43239000       0.90074325       0.37431963      -0.32166362
Zn       1.37478000       2.42766000     -11.10919000      -0.26707916       1.03398531      -0.34276990
Zn      -1.41293000       1.21803000     -13.68949000      -0.06592023      -1.36128670      -0.91130986
Zn      -2.62848000       0.33188000     -16.40650000       0.07045943      -0.68088656      -0.03862668
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.81193199 magmom=2.0276233 free_energy=-65.81776552 stress="0.006836931801270733 0.01817990430758881 0.0037916168174809014 0.01817990430758881 -0.019388758702825783 0.005265045576428375 0.0037916168174809014 0.005265045576428375 0.02096319748644781" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37066000       2.49133000      -5.47743000       0.11750723       1.00464310      -0.02806943
O       -1.49106000       2.68185000      -1.58714000      -0.14254746       0.03577734      -0.58168228
O       -0.15220000       1.63840000      -4.54108000      -0.69317103      -0.26344721       2.02786992
O       -1.89335000       0.69607000      -6.12587000       0.76516065      -0.76728738      -0.69421258
O        1.30336000       2.46999000      -8.04398000       0.76858781       0.14532921       0.07845461
O       -1.89473000       0.61340000     -10.52901000       0.14454635       0.27726389       0.41938360
O        0.18138000       0.29073000     -13.14599000       0.03640116      -0.18297338       0.77576336
O       -1.05205000       1.32534000     -15.68474000      -0.35791965      -1.38484907      -0.36392654
Zn       0.07753000       1.71494000      -2.28970000       0.05700598       0.25713962      -0.84459405
Zn      -1.84448000       0.61733000      -8.42081000      -0.76142912      -0.03282667      -0.39845678
Zn       1.30792000       2.48687000     -11.13143000       0.24786477       0.09400775      -0.33745152
Zn      -1.39736000       1.22137000     -13.72755000      -0.22540085      -0.17798856      -0.15284531
Zn      -2.69705000       0.27551000     -16.35958000       0.04339416       0.99521136       0.09976700
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.8295516 magmom=1.9996605 free_energy=-65.83013688 stress="0.005660793930116996 0.01586641083759347 0.0010763906223640236 0.01586641083759347 0.01935436480437251 0.005467653376208847 0.0010763906223640236 0.005467653376208847 0.03468535689420541" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45095000       2.55313000      -5.56245000       0.74187680      -0.14334499       1.70018898
O       -1.47113000       2.58464000      -1.59725000      -0.54297420       0.99693220       0.40574819
O       -0.15116000       1.72379000      -4.30955000       0.22215433      -0.27736223      -1.41631620
O       -1.68321000       0.68426000      -6.12283000      -1.10256198       0.03138137       0.11384155
O        1.36918000       2.39153000      -7.80757000       0.25935838       0.49760681      -0.26467591
O       -1.86863000       0.64474000     -10.41205000      -0.47119531       0.52462952      -0.27718373
O        0.21499000       0.37812000     -12.99880000      -0.24506639      -0.70739139      -0.47462718
O       -1.20525000       1.16631000     -15.72558000       0.28358782       0.11934570       0.50702293
Zn       0.07691000       1.74208000      -2.33069000       0.53228729      -0.50086123      -0.26949277
Zn      -1.83914000       0.53525000      -8.44502000       0.01983153      -0.03213635       0.43230021
Zn       1.25455000       2.55955000     -11.17327000       0.83132381      -0.33271175       0.44055765
Zn      -1.39222000       1.20435000     -13.77518000       0.05203953       0.37149106       0.53719917
Zn      -2.76717000       0.26050000     -16.30473000      -0.58066160      -0.54757872      -1.43456291
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.15708529 magmom=1.9819185 free_energy=-65.15849775 stress="0.003328453979897196 -0.004751074376680856 0.0041552518202867044 -0.004751074376680856 0.02547516585257615 0.014608742242358403 0.0041552518202867044 0.014608742242358403 0.00928125242682358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.61518000       2.61331000      -5.59895000      -0.12273153      -1.15765046       3.21657314
O       -1.55681000       2.68801000      -1.56209000       0.31882678       0.22887135       0.01101193
O       -0.11206000       1.76868000      -4.32780000       0.33814512      -0.42690739      -0.84548781
O       -1.60523000       0.68100000      -5.97192000      -0.36438718       0.98808971      -0.69080428
O       -1.68022000       2.40659000      -7.50796000      -0.66804834       0.14247598      -2.67401392
O       -1.93049000       0.81869000     -10.32133000       0.16076981      -0.08374768      -0.77657563
O        0.21082000       0.31883000     -12.92696000      -0.04455275      -0.30705533      -1.38254626
O       -1.32522000       0.94435000     -15.66811000       0.28363302       1.00353856       0.22571461
Zn       0.10343000       1.75256000      -2.39586000      -0.25939738       0.04811375       0.19295765
Zn      -1.83415000       0.42445000      -8.45614000       0.77648112       0.55968039       1.65367010
Zn       1.22954000       2.63867000     -11.19828000       0.08165582       0.03840927       1.48441193
Zn      -1.38510000       1.20322000     -13.80214000      -0.02664538       0.22028785       1.32080623
Zn      -2.90281000       0.21429000     -16.31867000      -0.47374910      -1.25410599      -1.73571768
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.95629446 magmom=1.9956616 free_energy=-64.95688671 stress="0.002209022678306704 -0.00801869934513527 0.015751626988164825 -0.00801869934513527 -0.018690584933793088 0.005498378971228089 0.015751626988164825 0.005498378971228089 0.01703492054226335" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.45987000       2.63133000      -5.48845000      -2.51900774       0.67333390       0.10574961
O        0.00480000       0.07673000      -1.57513000       0.27513467      -0.96318282      -1.26358035
O        0.01596000       1.72688000      -4.55237000       0.71623929       0.10511426       2.84027638
O       -1.57505000       0.82951000      -5.85733000       1.44453841      -1.33984958      -1.73483517
O       -1.64387000       2.46562000      -7.53228000      -1.17187868      -0.25821293      -0.86409529
O       -1.97956000       0.98668000     -10.32385000       0.26528018      -0.96508190      -0.09156802
O       -3.03301000       0.17408000     -13.07974000      -0.14048429       0.76343140       0.95913814
O       -1.40830000       0.90734000     -15.61626000      -0.76536551       0.46510393      -1.37164449
Zn       0.12553000       1.76828000      -2.45216000      -0.27343078       0.89346084      -0.46416675
Zn      -1.78061000       0.33084000      -8.40597000       1.40979930       1.25423326       0.41000289
Zn      -0.38858000      -0.05179000     -11.14459000       0.30749768       0.78025720       0.29368487
Zn      -1.37881000       1.21216000     -13.75879000      -0.21906390      -0.87477448       0.41057118
Zn       0.12878000       0.09752000     -16.40921000       0.67074138      -0.53383306       0.77046700
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.69592254 magmom=2.0001335 free_energy=-65.69942378 stress="0.001173620951391179 0.011798574860342888 -0.004774542475960214 0.011798574860342888 0.0007909685009429392 0.006561008364203438 -0.004774542475960214 0.006561008364203438 0.016813152289383352" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.43260000       2.66051000      -5.39270000       0.22559870      -0.43201105       0.18630940
O        0.02803000       0.03997000      -1.81536000       0.62961004      -0.43686831       0.92954107
O        0.22017000       1.70644000      -4.36606000      -0.10233553       0.21256519      -1.11982160
O       -1.38142000       0.79001000      -5.96768000      -0.81950757       0.03252509      -0.21297232
O        1.45068000       2.46472000      -7.69229000       1.98179308      -1.01587634      -0.18028982
O       -1.96936000       0.96094000     -10.32870000       0.13540369      -0.14435539      -0.17818702
O        0.13762000       0.19878000     -13.05348000       0.19060867       0.25041259       0.37240852
O       -1.60737000       0.96540000     -15.79308000       0.12714926      -0.53543205       0.68018127
Zn       0.12815000       1.82416000      -2.50545000      -0.62930987       0.49972854       1.13302787
Zn      -1.68515000       0.31341000      -8.35355000      -1.50157457       1.62794117      -0.46084107
Zn      -0.38760000       0.06305000     -11.09728000       0.38402775      -0.12595243       0.55818693
Zn      -1.38641000       1.18033000     -13.70456000      -0.67182925      -0.54486874      -1.10817361
Zn      -0.00041000      -0.03356000     -16.46722000       0.05036560       0.61219172      -0.59936962
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.79939974 magmom=2.0005313 free_energy=-65.80421468 stress="-0.013550559631284318 0.001008399529131364 0.010117284280372394 0.001008399529131364 0.01242253650540848 0.006933772597713343 0.010117284280372394 0.006933772597713343 0.014902764595377625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.41911000       2.66379000      -5.36653000       1.32952877      -0.76035971      -0.28048395
O       -1.46503000       2.71801000      -1.87351000      -0.60459011       0.81042215       0.95060814
O        0.35853000       1.72038000      -4.40554000      -0.95297248      -0.19875829       0.41189223
O       -1.34071000       0.72777000      -5.98696000      -0.71891766       0.49570265      -0.44887834
O       -1.58935000       2.28281000      -7.80285000      -0.66488291       0.06278792      -0.24659863
O       -1.93735000       0.91304000     -10.35087000      -0.10301596       0.56631765       0.38230581
O        0.13736000       0.26532000     -12.97245000       0.03845529      -0.60928376      -0.55077951
O       -1.74032000       0.90535000     -15.82390000       0.50036591      -0.51646808       0.60815389
Zn       0.10276000       1.88813000      -2.49271000       0.44682861      -0.72325712       0.13649223
Zn      -1.65398000       0.37805000      -8.33446000       0.74954335       0.78217539      -0.24812569
Zn      -0.36548000       0.14303000     -11.03639000       0.61770131      -0.82432557       0.05149053
Zn      -1.42502000       1.12854000     -13.71200000      -0.57310398       0.26575311      -0.59279211
Zn      -0.09220000      -0.10307000     -16.53064000      -0.06494015       0.64929366      -0.17328460
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.64311781 magmom=2.0150404 free_energy=-65.64790506 stress="0.0015936999060222462 -0.013366159330990035 0.011845209600252333 -0.013366159330990035 -0.0037505642274317727 -0.00385678425822652 0.011845209600252333 -0.00385678425822652 0.009232903344085547" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.35569000       2.62023000      -5.41503000      -0.20648598      -0.62564447       0.53034875
O       -3.05770000      -0.00074000      -1.71561000      -0.42739682       0.29971353      -1.02623007
O        0.31379000       1.68203000      -4.46088000      -0.64148798       0.17934435       1.67357942
O       -1.37951000       0.72570000      -5.93616000       0.57289850      -0.06717653      -1.50970850
O       -1.45283000       2.20277000      -7.86103000      -0.62388713       2.44658136       0.46687413
O       -1.91232000       0.99204000     -10.30400000       0.22197394       0.35616156      -0.08884921
O        0.13438000       0.19230000     -13.00430000      -0.61143156      -0.38911957       0.22508335
O       -1.76173000       0.72005000     -15.74261000       0.14252411       0.51713743      -0.48738808
Zn       0.09636000       1.91612000      -2.45125000       0.49149344      -0.48488361      -0.57744669
Zn      -1.59973000       0.47973000      -8.34394000       0.60163086      -1.37520439      -0.29794268
Zn      -0.30680000       0.17802000     -10.96949000       0.30278887      -0.70613078      -0.78868036
Zn      -1.49847000       1.08788000     -13.75443000       0.07792305       0.08050475      -0.14701100
Zn       1.41050000       2.65251000     -16.60993000       0.09945670      -0.23128362       2.02737093
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.57414384 magmom=2.0128398 free_energy=-65.57630419 stress="0.005966993935554 -0.006219743953712298 0.00819074462804694 -0.006219743953712298 0.005518574435061436 -0.0028709756217159253 0.00819074462804694 -0.0028709756217159253 0.021727533018561947" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.27627000       2.52235000      -5.50317000      -1.20084653       0.51106348       1.25362018
O        0.03650000       0.17887000      -1.72894000       0.33568297      -1.29556336       0.43261761
O        0.08572000       1.63268000      -4.26617000       0.49604601      -0.02478191      -2.16171991
O       -1.32658000       0.68785000      -6.03180000       0.04232734      -0.22234014      -0.16701456
O       -1.47678000       2.59621000      -7.73215000       0.39982395      -0.98682536       0.03412401
O       -1.82751000       1.18389000     -10.25118000       0.18840643      -1.01057627      -0.14882999
O       -0.00775000       0.00505000     -13.02570000      -0.14108627       0.79591989       0.50776478
O       -1.77370000       0.59547000     -15.74574000      -1.17258893       1.04971531      -0.08838254
Zn       0.12138000       1.92607000      -2.41589000      -0.40077545       1.05572708       0.24633061
Zn      -1.47244000       0.56852000      -8.38349000      -0.01645975       1.08077030       0.47616871
Zn      -0.20288000       0.18250000     -10.92559000       0.15999586       0.50907853      -1.27791346
Zn      -1.60059000       1.03372000     -13.81816000      -0.11304764      -0.79365819       0.40082579
Zn       1.28869000       2.59359000     -16.57454000       1.42252202      -0.66852935       0.49240879
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.35120651 magmom=1.9903807 free_energy=-65.35236949 stress="-0.009651206820306138 -0.011192322149256018 -0.011750973011077406 -0.011192322149256018 0.01431033916757051 -0.004447814384185527 -0.011750973011077406 -0.004447814384185527 0.022335298627770363" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.25973000       2.45502000      -5.55191000      -1.76955293       1.40919439       0.34642404
O       -0.00021000       0.13113000      -1.70911000       0.74700918      -0.10266548       0.60773292
O       -0.05063000       1.60226000      -4.39521000       1.46606486      -0.19316655       1.07715034
O       -1.31307000       0.62054000      -6.06283000      -0.31525512      -0.11025668       0.25736801
O       -3.00204000       0.01268000      -7.54815000       0.87971557      -1.44561413      -1.81864045
O       -1.70877000       1.18354000     -10.23870000      -0.01721220      -0.58172414      -0.53150096
O       -0.17644000      -0.03892000     -12.97037000       0.23386219       0.37879424      -0.46286214
O       -1.96675000       0.67042000     -15.79245000       0.19810069       0.09629537       0.15479974
Zn       0.12225000       1.97274000      -2.38492000      -1.05542654      -0.29033265      -1.25754536
Zn      -1.35410000       0.69695000      -8.40248000      -0.40905990       0.65906380       1.51065797
Zn      -0.09690000       0.20604000     -10.94745000       0.09698562       0.24262783      -0.80295604
Zn      -1.70201000       0.94971000     -13.85269000      -0.31226027      -0.32248056       1.14257785
Zn       1.23162000       2.51040000     -16.50255000       0.25702883       0.26026457      -0.22320593
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.76152297 magmom=1.9998643 free_energy=-65.76152633 stress="-0.003972022526968582 -0.01777214580486282 -0.011202082071974272 -0.01777214580486282 0.0035938052242485952 -0.0034687240768904873 -0.011202082071974272 -0.0034687240768904873 0.026605032820111917" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.32611000       2.46602000      -5.58004000      -0.77440914       0.14957091       1.63233086
O       -3.12226000       0.03318000      -1.61290000      -0.41298767       0.34028308      -0.59301701
O        0.06100000       1.58252000      -4.41939000       0.76370600       0.00425936       0.46423537
O       -1.35894000       0.57662000      -5.97921000       0.56489764       0.74587001      -1.14804376
O       -1.21101000       2.65813000      -7.67875000      -1.13498120      -0.21901146      -0.28510575
O       -1.61315000       1.06000000     -10.29959000      -0.03767093       0.42531832      -0.12734080
O       -0.25984000       0.00617000     -12.99707000       0.46957196      -0.32253952      -0.40322979
O       -2.10407000       0.73341000     -15.77976000       0.73735174      -0.99999220       0.67774451
Zn       0.07763000       2.00357000      -2.40764000       0.07496156      -0.68212743      -0.47719343
Zn      -1.27664000       0.83851000      -8.35894000       0.33046908      -0.28883845       0.32005586
Zn      -0.00583000       0.23586000     -11.01387000       0.07043312      -0.68449748      -0.33726552
Zn      -1.80094000       0.86453000     -13.82612000      -0.43499860       0.27575550       0.75688911
Zn       1.20459000       2.46116000     -16.45438000      -0.21634356       1.25594936      -0.48005965
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.84768178 magmom=2.0057763 free_energy=-65.84996929 stress="-0.00034123134297579186 0.0007023322306613951 0.0006547109203704592 0.0007023322306613951 -0.0021355956612895298 -0.018088996109260916 0.0006547109203704592 -0.018088996109260916 0.026056695877358794" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.42076000       2.49857000      -5.52994000       1.18999231       0.42391814       1.49661575
O       -3.11370000       0.02528000      -1.63367000      -0.77087668       0.27447619      -0.22610094
O        0.32400000       1.57591000      -4.37313000      -0.39380076       0.15048004      -0.50207262
O       -1.34572000       0.65515000      -6.04438000      -0.48853056      -0.00255220      -0.55786864
O       -1.24631000       2.61610000      -7.77018000      -0.27695692       2.16576470       0.42703105
O       -1.52967000       1.02761000     -10.37550000       0.04380164       0.48394549       0.29732198
O       -0.25386000      -0.02368000     -13.08557000      -0.52179406      -0.70620363       0.72117780
O       -2.06573000       0.61609000     -15.67229000       0.47974191       0.19939324      -0.86630806
Zn       0.03508000       1.99395000      -2.45314000       0.42864378      -0.59483312       0.22501064
Zn      -1.19344000       0.92031000      -8.31441000      -0.37481885      -2.42529423      -1.09549914
Zn       0.08247000       0.22746000     -11.09984000      -0.06344869      -0.77735496       0.02642270
Zn      -1.91089000       0.80060000     -13.75657000       0.69959019       0.72584389       0.16711755
Zn       1.16854000       2.47399000     -16.43080000       0.04845669       0.08241645      -0.11284807
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.23856134 magmom=2.000759 free_energy=-65.2397518 stress="-0.031327893615709916 0.012715771966406166 0.002904361666241585 0.012715771966406166 0.013346737701941133 -0.012375889138926075 0.002904361666241585 -0.012375889138926075 0.02039824762495998" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.45950000       2.56674000      -5.43265000       1.95336149       1.38990418      -1.53251461
O       -0.05187000       0.08711000      -1.73244000       0.33894518      -0.15418082       0.41685887
O        0.51996000       1.60588000      -4.41358000      -2.05895874      -0.16789799       1.45090176
O       -1.36979000       0.76445000      -6.10157000       0.31679990      -0.42491891       0.90599359
O       -2.88612000       0.14788000      -7.65814000       1.59655992      -1.93570807      -0.67311581
O       -1.43225000       1.09988000     -10.39266000      -0.05040078      -0.20848845      -0.14832686
O        1.25889000       2.58220000     -13.07489000      -0.27106628       0.50792989       0.11141853
O       -1.94227000       0.52894000     -15.70263000      -1.36775438       1.11680873       0.50854878
Zn       0.00835000       1.94830000      -2.48786000      -0.46588047      -0.15549850       0.18193893
Zn      -1.14329000       0.89973000      -8.33971000      -2.20414876       1.30467663      -0.69362588
Zn      -3.03869000       0.16597000     -11.19014000      -0.02270980      -0.08553402       1.48230634
Zn      -1.99787000       0.76691000     -13.67132000       0.53675515      -0.45598437      -1.10336809
Zn       1.14085000       2.49629000     -16.41563000       1.69849758      -0.73110829      -0.90701556
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.37635248 magmom=2.0007636 free_energy=-65.37839391 stress="0.009949032068662178 0.0007528705788989128 -0.00838114323082251 0.0007528705788989128 0.0023255588563884755 -0.004475525773444116 -0.00838114323082251 -0.004475525773444116 0.023153053289142092" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -1.40188000       2.73063000      -5.43419000       2.00573087      -0.57195240       1.10730099
O       -0.17845000       0.11184000      -1.76166000       0.55840957      -0.67481351       1.00906372
O        0.39454000       1.67362000      -4.30151000      -0.25137178       0.33066142      -1.33581539
O       -1.29040000       0.83010000      -5.85993000      -0.94960315       0.60373016      -1.37732582
O       -2.69439000       0.10893000      -7.62569000      -1.59895929      -0.99382510      -0.67825206
O       -1.32196000       1.13125000     -10.42991000      -0.06791388      -0.97897442       0.07350822
O        1.06441000       2.47502000     -12.98664000       0.43522908       0.86383294      -0.07599044
O       -2.04127000       0.66012000     -15.68514000       0.17616640      -0.10393703       0.24153157
Zn      -0.05326000       1.88326000      -2.50699000      -0.90375060       0.51514227       1.21831659
Zn      -1.18333000       0.93814000      -8.41550000       0.77909827       0.65570969       0.42845145
Zn      -2.92338000       0.09342000     -11.21120000      -0.09457571       0.69341160       1.33080739
Zn      -2.06781000       0.69980000     -13.63170000      -0.10011234      -0.66049024      -1.45817465
Zn       1.19145000       2.48955000     -16.44213000       0.01165256       0.32150463      -0.48342158
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.09517374 magmom=2.0000193 free_energy=-65.09800358 stress="0.009013821742567273 -0.012656315737446569 -0.0146664056040631 -0.012656315737446569 -0.0064075437980576485 -0.0035498560496782902 -0.0146664056040631 -0.0035498560496782902 0.014467308915309321" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.84815000       0.10831000      -5.41085000      -0.88381177      -1.72071371       0.52697414
O       -0.19658000       0.01065000      -1.63297000       0.18154352      -0.12656216      -0.99177115
O        0.19458000       1.82449000      -4.37998000       0.82780639       0.76141719       1.14590864
O       -1.28546000       0.96571000      -5.73212000       0.09737734       0.61875615      -2.56206085
O       -1.13300000       2.67207000      -7.69480000      -0.28144552       2.00402186       0.20905863
O       -1.21893000       0.97823000     -10.45216000      -0.08326160       0.01222293       0.35339594
O        0.96077000       2.52240000     -12.90464000       0.99857396      -0.56116924      -0.21127145
O       -2.16737000       0.80708000     -15.61216000       0.42620370      -0.67600879      -0.41344968
Zn      -0.16709000       1.83264000      -2.46761000      -0.17358556       0.10167847       0.47180347
Zn      -1.20914000       1.00729000      -8.48589000       0.03390046      -1.56223613       0.65356534
Zn      -2.80108000       0.04328000     -11.16169000      -0.32339108      -0.12189845       0.32932543
Zn      -2.15213000       0.59487000     -13.66569000      -0.46734208       0.69688298      -0.53022311
Zn       1.26265000       2.49353000     -16.49372000      -0.35256776       0.57360889       1.01874465
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.47751981 magmom=1.9998342 free_energy=-65.47989676 stress="0.012786848193909186 -0.012808130023613438 -0.0007864068503077236 -0.012808130023613438 0.01236508065515769 -0.0008388726889104785 -0.0007864068503077236 -0.0008388726889104785 0.011202699606887186" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.75231000       0.17548000      -5.40188000      -2.49771122       0.08004792      -0.12425048
O        1.41547000       2.69130000      -1.70588000      -0.64530945       0.47686909       0.18257134
O        0.18508000       2.05256000      -4.32807000       0.81755767      -0.32103270       0.42683679
O       -1.31141000       1.12530000      -5.98543000       1.42739614      -0.26065116      -0.41976273
O       -2.85513000       0.02010000      -7.67451000       0.16579599       0.62163278      -1.06252566
O       -1.15150000       0.85110000     -10.41323000       0.04519803       0.63944812      -0.15792111
O        1.05343000       2.46848000     -12.90094000      -0.11439756      -0.38433371      -0.40635421
O       -2.16837000       0.79850000     -15.64680000       0.83844520      -0.28418651      -0.34188015
Zn      -0.26753000       1.79714000      -2.40619000       0.68769733      -0.37470006      -0.50360060
Zn      -1.22317000       1.00315000      -8.50762000      -0.10033751      -0.27426962       2.01054865
Zn      -2.71988000      -0.00184000     -11.10262000      -0.55834587      -0.65775869      -0.18920967
Zn      -2.23621000       0.54014000     -13.71599000       0.64023387       0.56557455       0.23707224
Zn       1.30047000       2.52414000     -16.48914000      -0.70622263       0.17336001       0.34847559
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.58254359 magmom=1.9997716 free_energy=-65.58313851 stress="0.00699094148834056 -0.001078469400668963 -0.004609728605521792 -0.001078469400668963 0.0188828700639095 0.003773569269149081 -0.004609728605521792 0.003773569269149081 0.03748768396084188" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.76817000       0.23598000      -5.44608000      -0.44334956       0.48428295       0.29407274
O        1.30552000       2.68991000      -1.74722000       0.02265373       0.13522620       0.85083156
O        0.29574000       2.22600000      -4.25917000      -0.01637939      -0.45088566      -1.28400740
O       -1.18129000       1.20069000      -6.15751000      -0.24273413      -0.18505510       1.22503200
O       -2.89375000       0.29300000      -7.79058000       1.10719277      -1.31592143      -0.30884933
O       -1.08918000       0.86449000     -10.40159000      -0.14014837       0.06825041      -0.07059253
O        1.12572000       2.33126000     -12.97924000      -0.45425391       0.16024990       0.16837349
O       -1.98067000       0.71571000     -15.75562000       0.40845426      -0.14410199       0.39689770
Zn      -0.32637000       1.74713000      -2.37111000       0.30441850       0.05895325      -0.69244816
Zn      -1.24899000       0.98077000      -8.43799000      -0.69115035       1.12055661       0.44136614
Zn      -2.67633000      -0.07631000     -11.05826000      -0.42368506      -0.13975759      -0.41713382
Zn      -2.27836000       0.52318000     -13.75362000       1.06005354       0.22109616      -0.29693265
Zn       1.29493000       2.56309000     -16.45872000      -0.49107203      -0.01289372      -0.30660975
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.8181968 magmom=2.005322 free_energy=-64.82040502 stress="-0.015700991010241562 0.010714143482775756 0.006794524485424323 0.010714143482775756 -0.016221340351991236 0.007241810546584154 0.006794524485424323 0.007241810546584154 0.023672481053344806" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.80445000       0.32736000      -5.52849000       1.20348013       0.06833268       1.57650764
O        1.16874000       2.71693000      -1.64631000       0.62204052      -0.59568264      -0.93511075
O        0.39464000       2.32500000      -4.47191000      -0.29062673      -0.87099849       1.01146315
O       -1.11114000       1.26299000      -5.98246000      -1.53131096       0.37937617      -1.92442611
O       -2.82077000       0.28339000      -7.86893000      -1.46526708      -1.57134201       1.07994079
O       -1.05092000       0.87694000     -10.40349000      -0.23207205      -1.05119417       0.35330156
O        1.10879000       2.23714000     -13.04810000       0.00722621       1.18890168       0.22921689
O       -1.74842000       0.63634000     -15.78170000      -2.82570049       1.41594189       0.98053986
Zn      -0.37102000       1.69405000      -2.37003000      -0.02315244       0.80370529      -0.63814735
Zn      -1.28454000       1.02586000      -8.33765000       1.76490417       1.51295352      -1.04752227
Zn      -1.05293000       2.62306000     -11.05328000      -0.30871364       1.00316575      -0.58854090
Zn      -2.26264000       0.51185000     -13.80829000       0.64903295      -0.80572924       0.09410395
Zn       1.27855000       2.59478000     -16.43678000       2.43015940      -1.47743042      -0.19132645
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.40615151 magmom=1.9842334 free_energy=-64.40752714 stress="0.018930120965599852 0.0007579923300800671 0.00809129069273709 0.0007579923300800671 -0.035912852224288305 0.010552912687964247 0.00809129069273709 0.010552912687964247 0.009849148630143337" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.80088000       0.45880000      -5.57365000      -1.06915322      -0.78955591       1.14056444
O        1.14070000       2.61828000      -1.70808000       0.45863598       0.08052009       0.00328487
O        0.43292000       2.26726000      -4.61392000      -1.10778273       0.11278259       1.91519447
O       -1.26858000       1.39596000      -5.98778000       1.53592890      -1.51108042      -1.01925742
O       -2.97244000       0.00248000      -7.63502000       0.35662466       4.86921971      -0.25333779
O       -1.06454000       0.67447000     -10.31741000      -0.19903460       0.46967201       0.16451881
O        1.07522000       2.37575000     -13.09374000       0.17475313      -0.23732013       0.23812408
O       -1.95991000       0.78438000     -15.69513000       0.64759495      -0.46057208      -1.56421420
Zn      -0.43570000       1.66723000      -2.40767000       0.05093239       0.26550361      -0.63649506
Zn      -1.25019000       1.15871000      -8.27278000       0.05482877      -3.27913181      -1.42912227
Zn      -1.04552000       2.54802000     -11.05751000      -0.49557065      -0.19878221      -0.24179315
Zn      -2.19323000       0.45494000     -13.86301000       0.32470760       0.31209704       2.09100822
Zn       1.36564000       2.57004000     -16.40629000      -0.73246516       0.36664750      -0.40847501
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.03500462 magmom=1.95926 free_energy=-64.03606408 stress="-0.033177350418119395 -0.002459309665892236 -0.007094235424758984 -0.002459309665892236 -0.0008899133538024475 0.0056060189765565205 -0.007094235424758984 0.0056060189765565205 0.021025727808448122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -2.83821000       0.55550000      -5.55847000      -0.63464168      -2.38632709       2.16451821
O        1.19113000       2.52361000      -1.81579000      -0.57346964       0.87540816       1.21015542
O        0.26477000       2.18084000      -4.45707000      -0.18835738       0.49263112       0.36454286
O       -1.26109000       1.32761000      -6.11122000      -0.37644677       1.51698751       0.93966352
O        0.19870000       0.39452000      -7.42930000       2.50522426      -1.03771802      -3.09972680
O       -1.12352000       0.51577000     -10.16615000       0.01524774       0.68666086      -0.95965336
O        1.09686000       2.50165000     -13.06291000       0.79779328      -0.91850433       0.57301419
O       -2.12417000       0.87900000     -15.79553000       1.44408830      -0.75982146       1.51400032
Zn      -0.50076000       1.65090000      -2.47987000       1.10373666      -0.40935991      -0.85417259
Zn      -1.21776000       1.20627000      -8.27025000      -1.65206442       0.73595607       0.00733017
Zn      -1.06733000       2.45878000     -11.08194000      -0.73066923      -0.25179773       0.48981487
Zn      -2.09467000       0.40635000     -13.83635000      -0.08766044       1.12891991       0.13416325
Zn       1.43846000       2.55157000     -16.40236000      -1.62278067       0.32696491      -2.48365006
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-64.91786105 magmom=2.0019405 free_energy=-64.91789807 stress="-0.0227287988959775 -0.0266001585447676 0.0013652628690261313 -0.0266001585447676 0.038997563245431674 0.0019372340475485236 0.0013652628690261313 0.0019372340475485236 0.013256295756827963" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.31769000       0.54146000      -5.46616000       0.02265305      -0.86329123       0.67830461
O        1.15609000       2.59498000      -1.73213000       0.03567065       0.12483162       0.02382374
O        0.06012000       2.16988000      -4.30003000       0.81262499       0.82794674      -0.69479244
O       -1.29271000       1.40836000      -5.99322000      -0.17846664       0.46003688      -0.34572947
O       -2.72346000       0.67299000      -7.62220000      -3.70430688      -2.12639517       0.77915799
O       -1.17649000       0.52196000     -10.16809000       0.01153508       0.32118290      -0.87194807
O        1.25671000       2.42870000     -12.92233000       0.08618567      -0.53316247      -0.34684232
O       -1.98536000       0.79990000     -15.68125000       0.64296432      -0.47840168      -0.27024442
Zn      -0.51422000       1.61991000      -2.56553000       0.10356975      -0.03222127       1.08765827
Zn      -1.24225000       1.26328000      -8.29658000       2.91788442       1.26578171      -1.17818535
Zn      -1.12454000       2.36588000     -11.08855000      -0.41948249       0.12462898       0.76592081
Zn      -2.00385000       0.41773000     -13.78907000       0.38573115       0.63743338       0.71529023
Zn       1.42491000       2.55535000     -16.50533000      -0.71656308       0.27162963      -0.34241359
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.37926359 magmom=2.0112627 free_energy=-65.38161267 stress="0.022275375515203623 -2.0643959954605273e-05 -0.008124819586682114 -2.0643959954605273e-05 0.02005814257478897 0.005949406573690031 -0.008124819586682114 0.005949406573690031 0.015001834290902669" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.27677000       0.49822000      -5.39102000      -0.98002640       0.96047151       0.16766095
O        1.12012000       2.67759000      -1.71248000       0.22543501      -0.63431678      -1.21042141
O        0.05266000       2.29877000      -4.30694000       0.68693850       0.41349690       0.20536480
O       -1.40227000       1.49409000      -5.88098000       0.28323580      -1.50658495      -1.18505765
O        0.31564000       0.52290000      -7.63288000       0.93160629      -0.82399237      -0.05822345
O       -1.21978000       0.57449000     -10.29923000      -0.06806354      -0.66089678       0.69072552
O       -1.81219000       2.26387000     -12.89403000      -0.22424050       0.29979141      -0.84474814
O       -1.74958000       0.65310000     -15.65357000      -0.53510289       0.14979814      -0.88243516
Zn      -0.51371000       1.59508000      -2.58291000       0.02021370       0.68549211       0.80558332
Zn      -1.18958000       1.35641000      -8.36316000      -1.11757312       0.31394054       0.13330296
Zn      -1.18810000       2.30580000     -11.05976000      -0.13090649       1.11999531       0.17479164
Zn      -1.91839000       0.45764000     -13.71965000       0.44148990      -0.08926024       0.13166690
Zn       1.38000000       2.56901000     -16.58889000       0.46699373      -0.22793482       1.87178973
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.13588343 magmom=2.0000809 free_energy=-65.13696513 stress="0.020999616130461515 0.009246166245144101 0.010868702915727878 0.009246166245144101 -0.004671050615045899 0.005144800394031565 0.010868702915727878 0.005144800394031565 0.03791458517205696" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20787000       0.49665000      -5.36093000      -0.65816196      -0.81785654      -0.36458546
O        1.14487000       2.60983000      -1.89164000       0.27726504      -0.33676662       1.07610652
O        0.15373000       2.46694000      -4.33362000      -0.55212393      -0.86689553       0.25993991
O       -1.46204000       1.36037000      -5.91217000       0.83738253       0.82940296      -0.41564068
O       -3.01401000       0.25250000      -7.56828000       0.05516939       2.03972611      -0.70590344
O       -1.26647000       0.50628000     -10.28600000       0.00360648      -0.03520205       0.10833610
O       -1.73499000       2.22706000     -13.00962000      -0.15286131       1.15140144       0.53423844
O       -1.70724000       0.58693000     -15.79130000      -1.46396559       0.71822750       0.66771523
Zn      -0.51126000       1.61075000      -2.55186000       0.40307547       0.59490193      -0.18025697
Zn      -1.16958000       1.43653000      -8.42040000      -0.18279732      -2.02252207       0.79222202
Zn      -1.24739000       2.31008000     -11.02852000      -0.31440730       0.52435327      -0.22995860
Zn      -1.82731000       0.47862000     -13.66138000       0.52663848      -0.92869722      -1.36801915
Zn       1.37439000       2.56357000     -16.57590000       1.22118001      -0.85007319      -0.17419393
13
Lattice="-3.21591296 -0.00747202 -0.00289446 1.60150433 2.78872255 -0.01925619 0.01535378 -0.12439255 -16.73784654" Properties=species:S:1:pos:R:3:force:R:3 energy=-65.27010625 magmom=1.9999377 free_energy=-65.27042881 stress="-0.0074421883238105484 0.012302372287868053 -0.007510863555100005 0.012302372287868053 0.026866964791001903 0.007757720396515225 -0.007510863555100005 0.007757720396515225 0.045017819180251016" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10838000       0.45213000      -5.40308000       1.35361328      -0.45004319      -0.08921244
O        1.21134000       2.47351000      -1.86177000      -0.65178546       1.10618007       1.12300848
O        0.13563000       2.45152000      -4.34044000      -0.54770310      -0.82003216       0.07539911
O       -1.42170000       1.34360000      -5.93653000      -1.15562294       0.87187582      -0.51983048
O        0.14703000       0.38118000      -7.59509000       1.06332365      -0.17762876      -0.61341046
O       -1.32639000       0.40964000     -10.21800000      -0.18887518       0.72218305      -0.51331880
O       -1.69289000       2.41782000     -13.03339000       0.13401644      -0.70950458       0.63349766
O       -1.95173000       0.66957000     -15.81261000       1.24577005       0.07323939       0.89132887
Zn      -0.47538000       1.65870000      -2.52334000       1.12592200      -0.77402642      -0.40155409
Zn      -1.17307000       1.42186000      -8.43745000      -1.08108054      -0.12763607       1.23953021
Zn      -1.33362000       2.35314000     -11.00944000      -0.15870865      -0.18465726      -0.22651488
Zn      -1.69028000       0.45995000     -13.67732000      -0.03147415       0.76933263      -1.26440492
Zn       1.42620000       2.50964000     -16.55502000      -1.10739539      -0.29928253      -0.33451825
