64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=195.0391223697631 stress="-542.6905550903791 -184.06781149277919 -137.27549670344365 -184.06781149277919 -753.9617603987629 -133.60564406550566 -137.27549670344365 -133.60564406550566 -502.7844250749041" pbc="F F F" Fe 0.44463174 0.22865824 0.58165386 -39.75934925 -73.29334915 -63.82722046 Ni 0.92096167 1.10593507 1.34430124 31.46573658 71.88865908 57.94049302 Ni 2.17013815 1.92001687 0.03091241 4.05582784 2.23060510 -3.68307018 Fe 3.07535270 3.43578160 1.65148936 2.43782366 -4.93546181 -3.34810425 Fe 1.82872913 0.91555775 3.03440538 5.28605970 -0.21881034 9.96956615 Fe 4.20661874 1.21959328 3.50512234 -32.24221686 51.06969915 -73.98632278 Fe -0.04530234 2.57218002 2.86863070 -0.94691838 -0.32905372 0.40266547 Fe 1.42924184 4.15985097 3.34845996 -141.72192374 -85.99940818 75.62073205 Ni 5.57327077 0.20357008 0.58052584 -72.21291812 -255.49412834 -40.33009776 Ni 5.86168852 1.23362141 0.74207462 71.54479680 249.15358531 30.63915236 Fe 7.66758384 2.10081725 0.09534384 -1.51557751 -18.18547385 -14.97903947 Fe 7.94028329 3.38745125 1.08035139 5.76005015 10.51852714 10.32879531 Ni 7.44555833 0.11155488 1.94993587 1.15783245 0.80592399 1.02746650 Ni 8.19939602 1.45025305 4.02482819 -0.01841035 -0.46810236 -3.27697867 Ni 5.34836566 2.14981165 2.28443705 4.42891424 12.22255222 2.70852887 Ni 6.01859402 3.42543530 4.33477900 0.06832943 -0.56500787 0.96303606 Fe 0.30814359 5.07325236 0.35265480 0.79532939 0.29517785 1.24860117 Ni 1.33709541 6.73353932 1.99042201 46.34416478 -11.88790938 4.74920187 Fe 2.37253225 7.79711112 -0.28590247 -0.65345598 -0.70721997 0.68580283 Ni 3.45472220 9.09744974 1.29886603 0.34364903 -0.92433437 1.39002139 Fe 2.39062452 4.75124925 2.84522213 140.04200661 90.86950138 -70.50970304 Ni 3.95041864 6.57858471 3.54433954 -2.76986547 -1.95147360 3.45716848 Fe -0.17532382 7.14618695 1.83125840 -45.21782868 12.44878470 -4.98544315 Ni 1.80487812 8.81179716 3.82090381 -5.54443691 9.17409489 -10.16159929 Ni 5.38632716 5.16249437 0.23985325 -18.06736226 -19.08243974 -60.19034059 Fe 5.79186474 5.58615788 1.58114781 24.17295962 -10.03894882 49.29335942 Ni 7.20317593 7.58004274 0.25859428 -0.59592386 -1.18906588 1.45527683 Ni 9.19803391 8.26804191 1.34719824 -0.94169206 -0.58836151 0.44028247 Fe 7.46763330 4.93062659 1.88844840 5.10497832 5.72626798 6.18548787 Fe 8.44096908 6.74663771 3.85545297 10.87955323 -12.23770446 -9.31775711 Ni 5.16946619 7.06037196 2.02540838 -9.66216783 34.85143611 5.03125093 Ni 5.88968708 9.11357929 3.76112469 -1.53257757 -0.37079988 -0.85049306 Fe 0.16486477 0.16378034 5.14770342 -33.36043154 -28.78434792 -23.97494588 Ni 1.20139570 1.06689414 5.87775954 33.17783035 29.57771920 23.71644617 Ni 2.88703745 2.77527694 5.15124986 -34.54470255 -24.43385179 -24.47409782 Fe 4.00306836 3.56443900 5.92670380 33.93584090 23.48150349 24.49550391 Ni 3.02142885 0.43614861 7.42447818 -17.40725781 -3.25279461 -19.73303642 Ni 4.15516472 0.68940966 8.63285888 18.48113208 4.66623892 18.54389631 Ni -0.12293344 3.06534844 7.22171946 1.67495455 0.45262217 -0.31070602 Ni 1.40874512 3.97074675 9.15245466 -0.78071271 -0.75955263 -0.95518836 Fe 4.54490919 0.47388604 4.59500813 25.05060083 -55.08457791 81.99132755 Fe 6.30156401 1.24994456 6.72895464 23.51310064 -46.77874273 -21.09821266 Fe 7.68368192 2.06760747 5.93335775 -3.21567053 -5.34095354 -1.82395698 Ni 8.92741854 3.43493580 5.92972619 9.73043601 11.49556280 -0.13540670 Fe 7.59445148 -0.19393637 7.20024600 2.00106230 -1.32950095 1.14089611 Ni 8.77582937 1.04730200 8.92009629 -0.87952384 -0.00171409 -1.30267345 Fe 5.48340045 2.30829075 7.33438790 -34.89822493 27.30325316 10.67771607 Ni 5.51472224 3.62410025 8.53492278 -0.13446382 16.37142770 13.65690038 Ni 0.09147387 5.56841288 5.32153907 -4.41136444 -1.22029167 -1.37026419 Fe 1.96185335 5.96475159 5.92666943 -4.25457469 27.00532261 -30.86174489 Fe 2.55290992 7.56751847 4.97630253 6.47505567 -6.18330274 9.30398620 Ni 3.87289817 9.19601539 6.74665820 -14.08524796 29.48916451 -3.00410476 Ni 2.27981324 4.94671599 7.11024924 8.38035309 -29.87152058 32.43829586 Fe 3.19279080 5.43762879 9.16829514 1.33841811 0.77031299 0.65376207 Fe -0.24410382 7.90304701 7.29609583 1.52319594 -0.66850418 -0.04501377 Fe 1.59397550 8.42955791 9.18338178 -0.29130647 -0.74427359 -1.21274549 Ni 5.03147559 5.40789670 5.38988671 -111.63930867 -58.34714967 -93.49586016 Fe 5.76232711 5.80074168 5.99919669 106.14970652 61.15600743 89.86974738 Fe 7.45783267 7.86503163 4.64405784 -9.83174168 11.57335215 10.29800242 Fe 9.10924589 8.93626446 6.80325910 -1.11896640 -0.58592109 -0.52506094 Ni 7.50137142 5.46215559 6.90315093 6.17680117 -1.46547630 3.32320199 Fe 8.99759761 5.62943122 9.04713776 -0.73386609 -0.08595165 -1.02241486 Ni 4.55199227 7.72546497 6.88020672 13.84315185 -30.68553220 2.36533024 Fe 6.41810688 9.13699148 9.01935771 -0.34966290 -0.50628891 -1.22029855