32 Lattice="7.080895788574708 0.0 0.0 0.0 7.080895788574708 0.0 0.0 0.0 7.080895788574708" Properties=species:S:1:pos:R:3:forces:R:3 energy=-97.94941047911468 stress="-0.006092898852830915 0.0020844125221208417 0.0016863677182391745 0.0020844125221208417 -0.00838062160501882 0.0004410966202476575 0.0016863677182391745 0.0004410966202476575 -0.006582388267735078" pbc="F F F" Fe 0.00701877 0.01522602 0.02207554 0.29695681 0.21369301 0.22251652 Fe 1.80036380 1.76595046 0.00361416 -0.21532635 -0.12162041 -0.25621188 Fe 1.77477191 0.03256261 1.80190101 0.02889955 -0.61107117 -0.38152663 Fe 0.01224022 1.73871483 1.77654620 -0.41443788 0.25450603 -0.17408840 Fe 3.52240207 0.00077021 0.00169889 0.16586822 0.08903005 0.20023562 Fe 5.29594701 1.79868162 0.03291942 -0.01879975 -0.26753617 -0.16418935 Fe 5.34528803 0.01820987 1.79291739 -0.19650554 0.06704174 -0.06349752 Fe 3.55668624 1.77168482 1.80414170 -0.09407736 -0.11993698 -0.15799850 Fe 0.02954442 3.51046937 0.02876873 -0.03405246 -0.03099152 -0.06590361 Fe 1.80012339 5.27878856 0.00634524 -0.09370495 0.18145737 -0.21059129 Fe 1.78497649 3.57102632 1.76152182 -0.05222379 -0.55000731 0.13835798 Fe 0.04102601 5.28297833 1.76989907 -0.15576472 0.21516906 -0.08217069 Fe 3.50612314 3.51139073 0.00542270 0.30213604 0.16025163 -0.51563854 Fe 5.28122565 5.33275825 0.02293974 -0.27965405 -0.31562793 0.14187148 Fe 5.28892872 3.52380225 1.73530129 0.53035012 0.25041419 0.28869292 Fe 3.53878101 5.28552062 1.74974547 0.15606282 0.60085629 0.19009417 Fe 0.01224097 0.00165707 3.51163010 -0.15280339 -0.12777903 0.18580073 Fe 1.74985199 1.75046851 3.53638183 0.21878412 0.43946371 0.14300707 Fe 1.76631041 0.01528879 5.29113900 0.09612203 -0.10574659 0.08802441 Fe 0.03615189 1.73978525 5.33789029 -0.12602992 0.14961352 -0.11811312 Fe 3.51600477 0.02167837 3.54743660 0.37510472 -0.51927272 0.11378983 Fe 5.32207845 1.74822668 3.58342039 0.40046877 0.08820684 -0.20092671 Fe 5.30576602 0.02274582 5.34544059 -0.22615672 0.11705280 -0.23975341 Fe 3.57405018 1.76952071 5.31218857 -0.20766848 0.10147235 0.31647182 Fe 0.03086736 3.53917711 3.51390803 -0.47654520 -0.07880600 0.32635644 Fe 1.75680751 5.29865226 3.55252218 0.13089544 0.47359296 0.17995462 Fe 1.77950335 3.52101126 5.31375884 -0.01853709 0.08336444 0.26077780 Fe 0.00826907 5.29771727 5.33447375 0.30445194 -0.33153254 -0.30552721 Fe 3.54552686 3.55543527 3.50747170 0.06659627 -0.05397832 0.48502130 Fe 5.33233556 5.31660992 3.57566595 -0.20179559 -0.09735940 -0.18565801 Fe 5.34028821 3.54069074 5.28848949 -0.15643189 0.05346775 0.02934897 Fe 3.52877463 5.31929340 5.33953421 0.04781827 -0.20738764 -0.18852681