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=55.0839408289 stress="-0.5216333036119359 0.009602951825476666 -0.14794969674528863 0.009602951825476666 -0.4420232967081075 -0.031407592778294906 -0.14794969674528863 -0.031407592778294906 -0.3091729941615552" pbc="F F F" Fe -0.27971533 0.04721220 -0.17042717 0.61777944 0.61902817 0.65783113 Fe 1.85325742 1.37343557 1.17645738 -2.78371229 -7.94932350 1.88662958 Fe 2.70055288 2.79714913 0.35304818 -34.36953631 -20.37182824 -60.59157405 Fe 3.40503041 3.30403308 1.37092295 36.48741320 31.02556572 56.34059448 Fe 2.29444233 0.02097969 2.81982288 -2.75873515 -1.71296032 0.82052914 Fe 3.73102139 1.55791645 3.17701240 -44.26392010 -31.86580558 25.88054447 Fe 0.20307100 2.32487160 2.20411959 1.16080256 0.23622492 0.63479604 Fe 1.07006286 3.74479186 4.34882719 -5.06638883 -5.48011804 -9.11979694 Fe 4.55129549 -0.14597582 -0.02428168 0.23461002 0.41328577 0.75691011 Fe 6.34408356 0.48129127 1.99837625 -38.73631029 40.80568962 -44.24284984 Fe 7.96522721 2.25439459 0.30820902 -13.62622998 -34.42983042 -13.81408444 Fe 8.46963622 3.55539633 0.85320685 13.00386646 34.23118717 14.76256386 Fe 7.05095910 -0.27655651 2.86866336 37.20751556 -39.59376781 46.38645336 Fe 8.50146850 1.23953289 4.33926252 1.26203957 -4.65624291 -1.85577855 Fe 4.73334514 2.29914561 2.57815043 48.61281845 31.67787293 -24.78243701 Fe 5.71859452 4.35332053 3.79623285 -2.00868191 -2.59353844 -1.87137932 Fe -0.39887138 5.13767521 0.55547424 -2.40821889 -2.80383524 -0.21267777 Fe 1.04238894 6.55901785 0.88921942 -0.83624653 -1.83467407 2.65085820 Fe 2.26521424 7.87829605 0.11762143 -9.00600031 -5.17093953 -8.96812941 Fe 3.49635809 8.81112136 0.84312203 12.63551951 8.95019845 7.73877283 Fe 1.93661681 5.33474052 2.93380765 -2.90717673 0.21144775 0.03785456 Fe 3.35694090 6.27731148 4.12549021 12.11357312 -10.49697522 -11.67400992 Fe 0.04733780 7.94332522 2.49606387 -1.99128650 -2.55488165 -3.09608743 Fe 1.34929664 8.71323930 3.81989688 3.36749035 0.54715420 3.22736011 Fe 4.93587742 4.86425462 0.11944526 -2.04567296 -2.34345282 -1.03028101 Fe 5.93228237 6.24497655 1.51201839 3.35820419 -0.66429741 1.77239176 Fe 7.52333657 7.35549170 -0.10030950 -0.66741870 -0.55371179 -0.62281380 Fe 8.51547278 8.27309657 1.70105478 -1.04142852 -1.45235800 3.42991426 Fe 7.76973184 4.56905528 3.22914059 -0.22119516 -1.67896976 -2.37668817 Fe 8.69046025 6.28640482 4.00032572 26.22709744 -18.52169504 -14.13249031 Fe 5.22251000 7.74364830 2.89090109 -17.41164090 -15.62579751 -6.08662797 Fe 6.30800575 8.80517182 3.43842517 17.30762649 16.10578844 7.49083215 Fe -0.43007360 0.23187364 5.24136316 0.76065366 0.71123538 1.47178701 Fe 1.89252591 0.72237758 6.51159619 -11.17485960 12.20121278 -11.49263456 Fe 2.37370836 2.91983928 4.89858931 11.05886187 -15.27921854 -0.83667143 Fe 3.40983348 3.67468175 6.18124647 17.49943040 -2.98972976 -7.43108086 Fe 2.81847669 -0.17328037 7.57594275 11.19826902 -10.37860503 12.89641748 Fe 3.80136000 1.85193509 8.82908298 -1.80485266 1.57346487 -3.98453949 Fe -0.37077700 1.63546626 8.18817171 0.82020999 -0.77559232 -1.62986266 Fe 0.75216959 3.69379726 8.71829720 -0.44070789 -0.27887333 0.21450779 Fe 5.29538648 0.70530651 4.97380898 0.59323283 -0.24438959 -4.81154967 Fe 6.70906900 0.83604388 6.71914856 -37.72850290 17.78620353 -19.25832332 Fe 7.58683335 2.44774168 5.56671840 -11.31182496 -2.46515776 3.78694121 Fe 8.76227964 3.75842636 5.32147454 8.73160443 10.76958390 -2.21765200 Fe 7.79763519 0.13920620 7.23960379 42.92741097 -32.03069511 12.41691873 Fe 8.60172781 0.86053644 8.75113346 2.39331782 5.59646750 7.01785089 Fe 5.60179415 2.20712500 6.64023103 -9.45099941 11.52735430 2.14172986 Fe 6.95379751 3.39457735 8.77551937 1.64302860 -1.29309076 -1.06825404 Fe 0.05955370 5.02813239 4.57141988 -12.70393407 16.24576104 2.39038976 Fe 1.54368674 6.47025637 5.76725030 -37.12120289 -30.96384398 19.00607141 Fe 2.56538150 7.29482210 5.19533077 29.02600832 40.51179947 -6.33061130 Fe 4.36082692 8.53866548 6.63775156 -13.40366618 16.97127863 -2.81358619 Fe 2.60374949 4.35396734 7.46763961 -10.15876316 3.48828809 14.89367638 Fe 3.07288445 6.30431264 7.98466232 0.85013502 4.73002023 -1.41952101 Fe -0.38195136 7.33495021 7.46195018 -10.30939927 -11.75438161 -12.82327239 Fe 0.49629422 8.29215735 8.49879994 11.15242310 11.14086902 12.30653539 Fe 5.40078471 5.85247239 5.14438880 -8.01361037 2.11197634 -5.30222534 Fe 6.74566835 5.89269776 6.37884593 -19.15915976 23.80708885 -18.03741633 Fe 7.63629877 7.17536678 4.63986266 -26.41322495 20.93031716 13.47458505 Fe 8.41212199 8.67196985 6.40377028 -0.46403926 -1.35712972 0.30097500 Fe 7.71099147 5.07186071 7.07750744 26.01182640 -32.99394059 16.65329749 Fe 8.88536888 5.94079335 8.21579007 4.77192015 4.11364889 5.36753041 Fe 5.30881811 7.22523897 6.87681107 9.23897912 -13.62508622 5.69922049 Fe 5.84653517 8.85437939 8.68687572 -0.46512065 -0.25527548 -0.57836388