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=14.079326270691086 stress="-0.000920387791021377 2.590166583140159e-05 -0.0009217632181904991 2.590166583140159e-05 -0.0010996889661995205 -0.0002306734522474138 -0.0009217632181904991 -0.0002306734522474138 -0.0013871151481721882" free_energy=14.079326270691086 pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -2.94761486 -3.13139009 -3.80687408 Fe 36.15142137 35.93572417 35.98055861 -12.29409158 -35.45686017 19.60424711 Fe 36.67756578 37.22516294 35.46095830 14.58987386 38.91234060 -14.76012887 Fe 37.98736736 38.99745172 36.33024966 -1.30283655 -2.52049230 -7.71456903 Fe 37.79428433 35.24064375 37.76200555 -5.29539409 -2.49249683 -3.46493756 Fe 38.98053443 36.09759444 38.74185685 4.95894573 4.17166987 4.38051064 Fe 34.90871710 37.48069883 37.61819962 1.46785261 0.41720389 -0.03734104 Fe 36.55604684 39.07636534 38.99475015 -44.81289762 107.52525619 -59.82640378 Fe 40.94546432 35.26499873 35.04153483 -93.94409095 -74.17846960 -154.48815957 Fe 41.55012441 35.74045746 36.03426861 91.73528898 70.09348984 156.49515859 Fe 42.32316245 37.26153012 35.30145827 1.04936815 4.28499516 -1.77351492 Fe 43.42712388 38.91385061 36.22088890 -0.13623011 -0.69841906 -0.95716194 Fe 42.73578848 35.79150318 38.24752218 -61.63215491 -15.95561149 -38.44331896 Fe 43.92497022 36.06567967 38.95948504 75.85680435 -4.24368628 24.23994011 Fe 40.03690210 37.71350978 37.13730575 -4.90301372 -4.41553966 -10.02385668 Fe 40.80220443 38.42873123 38.46341174 6.28913796 3.90667437 7.22779396 Fe 34.82624793 39.49365118 35.42673195 -6.89221022 -7.91300217 -6.44716218 Fe 35.82447290 40.48365875 36.32972720 8.16389345 6.86081379 7.43112785 Fe 37.04272155 42.62085647 34.71585688 0.05016567 -0.45742230 0.82047503 Fe 38.61643991 43.32327578 36.40123177 -51.90787925 30.92638946 -34.20925322 Fe 38.28818839 39.60398937 37.96422878 -4.78707771 -10.09962506 2.94968418 Fe 39.18297782 40.94224761 38.32018597 8.97441965 11.99520893 3.52981745 Fe 35.76542829 42.36017393 38.00132959 -0.11575335 -8.02175273 -1.23233710 Fe 35.55316969 44.00322643 38.77198524 -1.31573169 4.14826066 5.33681192 Fe 39.93977516 40.30385587 35.12891241 -0.78862709 -0.30961560 0.58137629 Fe 41.36106461 41.11123760 36.57455603 1.14672320 0.20508551 0.72092641 Fe 41.88067518 43.00165966 35.05288706 -1.54762717 -0.21529869 -0.09326148 Fe 43.81264009 43.18215902 35.91806716 -0.24906512 -1.15147103 0.91170171 Fe 42.78147506 40.01841245 37.77341645 -0.07919227 -0.18373207 1.69803711 Fe 43.57808511 41.50549627 38.97718991 1.92240623 -3.31493062 -0.13905826 Fe 39.66448343 42.68403127 37.11226018 51.89611536 -29.65919116 33.78725838 Fe 41.29254616 43.65043916 39.07488203 -17.51594187 11.22614455 -9.57935546 Fe 35.27699059 35.21050145 39.62953716 -4.30632139 -2.90407007 -11.60033494 Fe 35.94678843 35.72658758 41.06886405 5.04910280 4.83439793 9.94254195 Fe 37.00297454 37.99791377 39.62151619 42.92562775 -105.58694716 61.26176397 Fe 38.64802863 38.07540258 41.48895769 -1.04336120 -0.29380632 0.31621873 Fe 37.18748376 34.98144645 42.64172697 1.45707817 0.24991673 0.68076104 Fe 39.46083802 35.63682131 43.89947205 -2.58713030 -6.67332440 2.86251859 Fe 34.99582370 38.04168674 42.43055625 1.96841409 0.21533349 -1.65140073 Fe 36.65722822 38.86395605 43.99895428 0.29140320 -2.39058725 4.30264642 Fe 39.36999540 35.17369092 40.82305440 -0.65431121 0.70673246 1.06283715 Fe 41.48837336 36.00831489 41.43404765 -19.14483055 34.60289147 -16.70735649 Fe 43.03275711 37.13385079 39.66573727 -14.05779234 21.22134055 13.56314894 Fe 43.58393954 38.40855627 41.35140552 -2.49765861 0.60593118 -0.48498262 Fe 42.20384740 34.85081933 42.03810700 20.28061551 -32.65687189 17.68111367 Fe 43.93198955 36.32292046 43.95586308 -1.00237533 -0.06599847 -0.83380215 Fe 40.01031963 37.06828052 43.02356789 -8.26280488 -23.98179501 -12.69476963 Fe 40.52035194 38.44622535 43.45042604 10.71086548 30.09144530 7.72082014 Fe 34.65747868 39.58933233 40.40322283 -0.35480220 0.21483523 1.23214616 Fe 35.59473158 42.04704731 40.65653406 3.83332259 3.71152981 -5.01768740 Fe 37.52734501 42.69262016 39.39246191 -84.91284324 -27.41503906 -125.18875345 Fe 38.25121736 42.91196948 40.44518862 84.28310821 25.26218916 126.26217044 Fe 37.24767421 39.94186987 42.58882798 -1.39113896 3.15049626 -6.50212043 Fe 38.89895793 40.30925250 43.98328478 0.22908806 -0.96850788 -0.03544704 Fe 34.69480292 43.18717081 42.48215882 1.49598470 -1.41239805 -0.94631083 Fe 36.85171399 43.99595574 43.67278496 -0.47901328 -0.54930735 -0.94014736 Fe 39.85798705 39.40315209 39.92208795 -1.91388803 0.10802143 2.39646790 Fe 40.89974943 41.22892384 41.12165250 20.64196616 -36.55290340 -44.31700869 Fe 42.46589572 42.82060569 39.73473505 14.85525890 -9.25763876 11.04669487 Fe 43.64260964 43.84306647 41.60697114 -1.13199124 -1.07989783 0.72633609 Fe 42.26459378 40.20201412 42.51948547 0.97447272 0.29942682 1.31395695 Fe 43.87725473 41.77735174 43.86983378 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