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=58.86083272529528 stress="-569.063800626854 -134.97513833057928 -120.6818632957245 -134.97513833057928 -592.75974252411 81.32622775710973 -120.6818632957245 81.32622775710973 -282.3104210446006" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -1.31619836 -0.73560217 -1.14876332 Fe 1.59933616 0.93572417 0.98055861 -2.28203142 -44.78757994 28.75817651 Fe 1.69924512 2.22516294 0.23402360 1.99428927 45.26038176 -26.65195807 Fe 2.91061888 4.00824945 0.57106187 1.09905059 1.02156115 -0.72289506 Fe 2.51079372 0.29792246 3.33728409 -13.21084933 -2.67593041 -2.49747585 Fe 4.16746556 0.68878143 3.64796913 13.49732402 5.98733236 -6.16773522 Fe -0.02012763 3.08730472 2.60017060 0.57991583 -0.68887135 -0.40313865 Fe 1.55604684 4.07636534 3.99475015 -40.18815286 99.85231392 -57.86362562 Fe 5.71133019 -0.09681535 0.25284888 -0.53855231 -0.52370310 -1.44989081 Fe 6.57116719 1.00454661 1.78983070 -3.54336635 2.59236364 -2.70119273 Fe 7.51432400 1.93324962 -0.30384491 -0.42882420 0.05061803 0.63572482 Fe 8.42712388 3.91385061 1.22088890 0.19472154 -1.54471316 -2.05100451 Fe 7.73578848 0.79150318 3.24752218 -70.01562517 -31.34668044 -26.69276480 Fe 8.94092265 1.28827392 3.75986480 75.55486350 28.23621802 28.40646312 Fe 4.59592731 3.07886991 2.48008817 -14.48439853 -3.47848881 -17.91563773 Fe 5.62053955 3.32819731 3.74879789 14.58216156 3.08733194 17.90515424 Fe -0.17375207 4.49365118 0.42673195 -11.33728563 -12.54787370 -10.81915051 Fe 0.82447290 5.48365875 1.32972720 12.27481506 12.37940384 11.42081176 Fe 2.04272155 7.62085647 -0.28414312 -0.15488183 -0.62842938 0.63171358 Fe 3.61643991 8.32327578 1.40123177 -57.71910121 34.76770818 -38.83945688 Fe 2.95366604 5.22421110 2.43318260 -5.53687890 -1.47116811 -4.95943316 Fe 4.18297782 5.79320854 3.63709235 6.88641176 2.66102676 5.27561072 Fe 0.45513434 7.76658579 3.09838853 1.62335198 -67.67775011 -35.30279261 Fe 0.43178527 9.02576498 3.76165449 -0.77780245 66.48424138 35.81491187 Fe 5.72592795 4.95691584 -0.29625796 0.23296142 0.17874533 1.44579309 Fe 6.60365422 6.12475624 1.89236521 -22.11888460 24.65665739 -16.90602414 Fe 6.89441790 7.95778464 0.21154494 -1.97625723 -1.06717674 -0.19970066 Fe 8.71638199 8.49207206 0.87683091 1.06362485 -0.05058909 0.88218522 Fe 7.53026161 5.09122498 2.61912135 -13.05762374 -41.47286187 7.11229399 Fe 8.81761936 5.81177722 3.09615174 33.27857708 18.74951986 12.51853752 Fe 4.66448343 7.68403127 2.11226018 57.11799376 -35.52088985 38.36862443 Fe 5.97555741 8.51974443 3.82071427 -2.66864826 1.03971211 -0.91292358 Fe 0.47021830 0.28385994 4.13921903 -0.69837907 1.20665777 0.43248357 Fe 1.60375298 1.52492389 6.15965068 -1.60288441 3.69917093 -2.21509405 Fe 2.00297454 2.99791377 4.62151619 41.68249905 -98.74812856 55.82719373 Fe 3.88279835 3.70029955 6.56809651 -5.75109418 -7.06278651 4.27918191 Fe 2.24461314 0.06060018 7.12389558 2.38028620 -4.69881264 2.55850668 Fe 3.71803191 0.98191809 8.68127828 -9.25293490 -9.40298673 9.71097787 Fe 0.13825790 3.07984378 7.52824247 -1.04876924 -0.93143427 -1.78923906 Fe 1.49925153 4.29583664 8.54655608 -245.51783240 -184.29570567 68.70373853 Fe 4.41284510 0.31609597 5.40966620 0.46105815 -1.54624223 9.05940762 Fe 6.48837336 1.00831489 6.43404765 -25.27396609 42.77178909 -21.52927395 Fe 7.84911873 2.33044694 5.00188161 -3.25116842 1.61796246 1.25687402 Fe 8.55001876 3.49425818 6.48975212 -0.06327085 1.03891502 2.23554612 Fe 7.20384740 -0.14918067 7.03810700 26.25346893 -41.88270544 22.18363322 Fe 8.48589018 1.00907123 8.88344966 -0.86200676 0.10149989 -1.21925079 Fe 4.67753438 1.98247057 7.68814946 9.65595148 8.59255754 -9.01662851 Fe 6.25448042 4.01508942 8.75234525 -0.13913973 0.18962891 -1.38216030 Fe -0.25662314 4.85362037 5.18467774 -8.98151706 -18.00818647 -3.26572797 Fe 0.46691157 6.32905582 5.50773197 9.92724063 16.32892572 1.03047614 Fe 2.64811637 7.21827495 4.80335328 -2.15189984 -4.21434248 -2.40627966 Fe 3.43823994 8.75163630 5.58601690 2.58023084 3.44700674 2.11166281 Fe 2.36102597 4.94186987 8.30992513 235.30064379 181.40542091 -68.85543219 Fe 4.03445281 5.49741658 8.37416104 12.31900636 3.81963467 0.31799128 Fe -0.17241170 7.35295238 7.05413934 -0.10158377 1.78971895 2.65870325 Fe 1.70834461 8.95484767 8.58445220 -0.46633337 -0.88558902 -1.05630552 Fe 4.70549175 5.04527080 5.72110304 -5.57082884 -2.71158893 -7.93506947 Fe 5.89974943 6.22892384 6.12165250 32.20986470 -32.75271269 -48.30332479 Fe 7.34497277 7.45681557 4.71375535 2.86012832 -2.07931786 1.68336352 Fe 8.52240772 9.03751045 6.70416645 -1.10040580 -1.14678973 0.00185352 Fe 7.54087555 5.70230145 7.11476829 1.70718905 -1.13278716 0.41181792 Fe 8.74975399 6.29222758 8.83435354 0.05473801 0.35844294 0.49579996 Fe 5.39757659 7.11536967 7.13716159 -24.51846750 45.08562609 50.15798052 Fe 6.06541890 8.84260056 8.99922378 0.33547686 -0.73966868 -1.11384291