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=93.83497772857366 stress="-0.0009213756963133169 5.4488089239273384e-08 -0.0003962530379939526 5.4488089239273384e-08 -0.0009901209234612807 0.00010281312300835179 -0.0003962530379939526 0.00010281312300835179 -0.0010043890408674148" free_energy=93.83497772857366 pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -4.08806773 -2.66114858 -3.43927055 Fe 36.59933616 35.93572417 35.98055861 -6.50546043 -21.58053214 18.30358441 Fe 37.14715992 37.22516294 35.23402360 -1.60635202 8.75730317 -28.96219582 Fe 37.93229823 38.31172061 36.19084223 5.93082018 21.31049913 7.88637079 Fe 37.29465675 35.14771729 38.20399864 -10.26183983 -3.25373641 -3.94459164 Fe 38.85840215 35.76443239 39.02546443 9.35767134 7.62957038 -0.38129813 Fe 34.95577374 37.79563377 37.93187189 -0.68506469 -1.56502761 -1.60996028 Fe 36.55604684 39.07636534 38.99475015 -21.26989604 53.86605517 -30.72277140 Fe 40.78248547 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14.98417561 17.59474742 0.83795435 Fe 35.34278350 42.83814538 37.63905551 -2.50486618 -10.57119938 -17.68016663 Fe 35.60366252 43.66349090 39.11824152 3.77171370 9.37718320 18.61360372 Fe 40.26176311 40.27927672 34.77599447 -1.95115086 -0.93769866 -0.21241924 Fe 41.60365422 41.12475624 36.46651109 -12.11206330 14.61553220 -9.57006476 Fe 41.67119966 43.29253646 34.78221554 -2.29542971 -0.65944663 -0.58583556 Fe 43.57559210 43.55058575 36.17451505 0.93247191 -0.58660900 1.93539856 Fe 42.58087455 40.09122498 37.35935114 11.07902047 -13.87275741 11.68410166 Fe 43.97462727 41.11272182 38.87984742 1.17547358 0.15336596 1.56778718 Fe 39.66448343 42.68403127 37.11226018 36.80292800 -23.13204926 23.41326852 Fe 40.97555741 43.31914392 38.89352680 -18.21643590 6.57210804 -9.41327066 Fe 34.77045360 35.28866239 39.68786656 -0.97446621 -0.27482982 -2.48358991 Fe 36.11803101 36.09305905 41.30199494 -13.89227552 11.40747201 -7.93801778 Fe 37.00297454 37.99791377 39.62151619 21.91265744 -57.94431494 27.90055683 Fe 38.07353166 38.51894432 41.34725891 2.93289811 -1.60441892 2.16864855 Fe 37.43970136 35.30962604 42.02044147 9.95452812 -8.68641071 10.83867287 Fe 39.08450338 35.75571598 43.58475277 -8.67068951 -24.32163872 17.51623200 Fe 34.99655912 37.96978731 42.51668654 -8.02378985 -5.75606978 -7.53661057 Fe 36.22422232 38.91950201 43.54655608 -7.31876228 -8.21784020 15.87271650 Fe 39.08532250 35.00206044 40.83625574 6.10333651 -3.68608236 3.60086376 Fe 41.48837336 36.00831489 41.43404765 -22.43182231 31.41981445 -15.24269207 Fe 42.84911873 37.01595790 40.07449325 -21.28499785 1.46250588 10.75788961 Fe 43.60556472 38.49425818 41.03735392 3.10882188 8.74795952 5.36142839 Fe 42.20384740 34.85081933 42.03810700 19.35494332 -32.32282964 16.35227789 Fe 43.75567948 35.58042468 44.03850275 -0.17426234 0.48698239 -0.15670029 Fe 39.60939942 37.00409575 42.77385137 9.65899347 25.33074081 -16.83919268 Fe 40.88981588 38.99050463 43.64455433 0.74099656 -0.43189617 -1.02145713 Fe 35.03346674 39.71662307 40.34902654 -5.99641037 -2.85404227 0.38986325 Fe 36.12753280 41.21395641 41.27609686 3.28756573 3.47989294 1.22761893 Fe 37.82350393 42.21827495 39.80335328 -9.13888586 -12.76539762 -13.27496671 Fe 38.63834321 43.28337470 40.87827378 8.94444313 12.29918516 12.08641968 Fe 37.36102597 39.94186987 42.87644269 16.70023761 16.43175321 -7.07840824 Fe 39.67171808 41.11056424 43.96640764 -1.84601363 -0.55296921 2.30433697 Fe 34.85019353 42.97085593 42.41342367 -6.44292050 -1.36416315 -4.80130059 Fe 36.40009545 43.42893138 43.60183795 6.95164323 1.06314022 4.05596009 Fe 39.60146438 39.74812168 39.92451313 -2.76246736 -3.73105654 12.87641234 Fe 40.89974943 41.22892384 41.12165250 11.88038002 -28.16384708 -38.31117542 Fe 42.34497277 42.80178516 39.71375535 18.02282891 -7.01307576 11.25026687 Fe 43.84947997 43.91585207 41.75724536 -0.80269079 -0.84897917 0.18642741 Fe 42.43376557 40.85345170 42.38498733 3.72285564 -3.77022991 -0.09116592 Fe 43.66153064 41.54291660 43.96495890 2.33052664 1.90235933 3.41666719 Fe 40.39757659 42.11536967 42.13716159 -16.79867343 31.01691081 30.53639506 Fe 40.86157597 44.04079721 43.69789396 0.30269914 -0.21327527 -0.13142876