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=67.85079038735854 stress="-0.0017006032874534445 -0.00017479335512248504 -0.0006220928861185717 -0.00017479335512248504 -0.0015028188477521369 -1.4113405547019684e-05 -0.0006220928861185717 -1.4113405547019684e-05 -0.0012952924119964176" pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -1.34054999 -0.71218809 -1.46222664 Fe 36.59933616 35.93572417 35.98055861 -13.51685331 -34.72968965 22.57450776 Fe 37.14715992 37.22516294 35.23402360 -1.54066221 13.26256474 -40.83268907 Fe 37.93229823 38.31172061 36.19084223 12.86391948 21.73999677 16.68178242 Fe 36.90181109 35.14771729 38.20399864 0.56255393 0.82888338 0.60124446 Fe 39.35802973 36.07349581 38.45018589 -0.36340423 -0.75213623 -0.51143355 Fe 34.76884260 38.20444678 38.02575960 0.02868948 0.39490147 -0.79468500 Fe 36.55604684 39.07636534 38.99475015 -33.80196616 104.12825054 -73.10917472 Fe 40.23975440 35.55577733 35.25284888 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Fe 38.75210362 38.44613179 41.76132422 -2.31788589 -5.90277547 9.17755446 Fe 37.31797163 35.38405289 42.79856259 1.47675931 0.69316762 -0.80030059 Fe 39.40149214 35.75571598 43.91604801 -4.73792523 -5.19119526 2.93536583 Fe 35.17791434 38.19062491 42.68387240 -36.63143284 -25.78399502 -31.10038129 Fe 36.22422232 38.91950201 43.54655608 16.28687861 6.70727442 42.73773650 Fe 39.62244943 35.22757881 40.50692713 -0.93956083 -0.01539796 1.58647545 Fe 41.48837336 36.00831489 41.43404765 -33.27536958 47.90622552 -26.06245957 Fe 42.84911873 36.81500577 40.22971067 -3.44782912 3.20064036 3.82273765 Fe 43.71562119 38.49425818 41.03735392 4.13344898 -2.06615393 -2.13009406 Fe 42.20384740 34.85081933 42.03810700 32.48013207 -51.94234223 28.12458538 Fe 43.65919048 36.11178622 43.88925171 -1.30212969 -0.43756783 -1.44156284 Fe 40.41452828 37.00336033 42.84575081 1.43921590 7.28701827 -0.82466336 Fe 40.85429854 39.16374031 43.74908259 -0.05393654 1.87364133 -1.37181269 Fe 35.28526443 39.62769123 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