64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-31.215640541873935 stress="-0.0006424165504217581 -0.00015479903447468323 -0.00012479527374860457 -0.00015479903447468323 -0.000624260296871261 0.0002434540521978582 -0.00012479527374860457 0.0002434540521978582 -0.0007150032599447757" free_energy=-31.215640541873935 pbc="F F F" Fe 34.99161430 35.48322183 34.70268383 0.16197642 0.32950347 -0.19213143 Fe 35.95452046 35.86250509 36.73031851 0.00402448 -4.35925564 -2.77004809 Fe 36.69312075 37.48436239 35.19582750 0.29820843 -0.26556947 0.13398405 Cr 38.89050205 38.41940571 36.24705666 -26.00152893 21.01423341 -20.72192327 Fe 37.83076334 35.18638531 37.28353308 2.56234957 0.31458234 0.15808145 Cr 38.91746169 37.04096638 38.57875178 -0.90180761 -3.74101221 4.90219595 Fe 35.35640122 37.37501571 37.67887513 -26.94877595 -6.78556478 -22.97664952 Fe 36.38196207 37.87360744 38.74015829 20.30100592 14.48558771 19.35052520 Fe 40.45393059 34.90492922 35.53494866 -1.70607807 -1.02091034 -0.14844863 Fe 41.57181618 36.58108167 36.09508615 -24.27304985 -4.63293137 19.42087996 Fe 42.61457661 37.20353115 35.06773381 20.90555658 13.38797557 -20.47359754 Cr 43.76023581 39.36703350 36.65284956 14.02393348 0.70837996 -3.31995164 Cr 42.73058762 35.19444190 36.55070934 5.15004764 -6.09268469 2.48755711 Cr 44.00431127 36.22580914 39.63290371 -0.32297045 -0.45088224 0.15071790 Fe 39.80517807 37.61806500 37.08062665 28.88755624 -19.59141012 16.39036461 Fe 41.11333398 38.75646684 39.00735532 -0.32867035 0.00019741 0.02370511 Cr 35.51631295 39.61881652 35.25435160 -1.90630110 -8.48095982 -3.18411719 Fe 35.87809763 41.23763196 35.95955613 7.63424878 0.12166649 -2.46710262 Cr 36.91329446 42.59077098 35.07176999 1.91754162 2.30383138 -1.47285698 Fe 38.51791138 43.76909995 36.35857612 -16.90616192 12.19301623 -13.52048721 Cr 37.12107405 40.32430574 37.38252482 -0.43406034 -0.80469794 0.52149759 Fe 38.96830431 41.31250608 38.40483744 0.16873521 -0.68509372 1.12289591 Cr 34.73287224 42.03610325 37.01232978 -7.41177038 4.91597346 8.08534594 Fe 35.88669984 43.62556675 38.55792231 0.53136588 -0.82279352 0.16397532 Cr 39.21274990 39.76235705 34.55747050 0.61971840 1.86609577 -1.16722083 Cr 41.67749086 41.29544742 35.77719125 -21.61164618 -30.35319165 34.45818418 Fe 42.27006853 42.16375227 34.82024044 21.63854165 31.40560938 -33.39358659 Fe 44.03405557 44.03264803 36.27357084 -0.84894705 -1.60217684 0.27084156 Cr 42.06788683 39.34227041 36.99754337 -14.92253566 -1.47307310 2.83355299 Fe 43.95060349 41.56301221 38.21729336 -1.08389875 -0.10521775 -0.74595937 Cr 39.59898904 42.99414350 37.25880203 18.03136285 -12.33252017 13.47087546 Fe 41.43838615 44.03624858 38.99820136 -1.04863395 1.71153819 -1.13667236 Fe 34.89290195 35.05154060 40.53528878 -11.61836169 -25.75975136 -3.21943203 Fe 35.54262675 36.51002473 40.72463938 11.95994937 25.21310686 2.19187270 Cr 37.55165179 37.53249570 40.11575364 2.65265962 -1.25989494 8.52952251 Fe 38.54303244 38.87387457 41.34040093 -0.84378231 -6.04011177 0.55730615 Cr 37.77898005 34.62715892 42.89478270 -6.70855872 -12.61867815 -5.88022727 Cr 38.54031447 36.03972573 43.50377459 7.14059738 13.07155140 5.41293542 Cr 34.62854686 37.71020857 42.14200717 -0.92231135 -0.10542150 -0.39953260 Cr 35.61566548 38.86377816 43.86622193 1.09205716 1.03647214 0.40274764 Cr 40.01745485 34.92613853 40.34099007 -7.21943189 -2.57205699 -2.12250576 Cr 41.66287622 35.79556655 40.89160428 -10.67751162 22.70646092 -25.93898978 Fe 42.90843299 37.96441644 40.33560044 -6.07403588 -9.30458863 -2.34762829 Cr 43.73899787 39.45051508 40.80875242 5.15045974 10.82542913 2.63859145 Fe 42.33859636 35.06507203 42.00117672 16.45209042 -19.24439865 26.33030530 Fe 43.21284937 35.88220907 43.70424562 0.37410981 1.09802927 1.13701359 Fe 40.20926732 37.61649606 42.51501214 -5.91798621 -8.63484046 -18.02745604 Cr 40.77078514 38.30209715 43.91115169 6.45439399 8.74324338 16.89275769 Cr 34.88731884 40.08766333 39.16189801 1.17571600 0.36954925 -1.09786851 Cr 35.86434150 41.47436012 41.22610494 -13.13327378 -5.90469304 8.16786355 Cr 37.17526597 42.12583195 40.37481214 12.43137211 6.24900217 -9.04753648 Fe 38.63592911 43.79080113 41.25687262 0.04319575 -0.54176176 0.75042100 Fe 37.49741929 40.25702410 42.05619367 -2.99535255 4.02208451 2.62842054 Fe 38.86421759 40.57300417 44.00117979 -2.76403771 -9.41184493 3.68781760 Cr 35.18649434 43.49353224 42.72474773 -12.76240078 -0.36312634 -10.62797534 Cr 36.50449630 43.52914365 43.77764052 13.75287083 -0.20656484 9.57283336 Cr 40.11369540 39.71736431 40.70204447 3.56084175 2.35590230 -1.80352612 Cr 41.71832332 41.46596568 41.02248913 -8.05755778 -10.97944316 18.03647676 Fe 42.11288736 42.35610097 39.82157351 9.15034864 15.15936585 -22.80685015 Fe 44.06260974 43.00327699 41.59988113 -1.24069700 -1.15609655 0.00686139 Cr 42.02912077 40.19586713 42.40636957 -1.80462205 -7.92975797 5.14143483 Cr 43.51345783 41.14664218 43.63303760 2.10591983 1.82934551 0.53908564 Cr 39.45733085 42.12065103 43.29899369 3.58019128 9.06637636 -5.10044325 Fe 41.07282164 44.17037262 43.85131267 -0.51618897 -0.87113338 -0.45872254