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=14.0793262707 stress="-0.4003717253612338 0.01126731008365569 -0.400970040717197 0.01126731008365569 -0.478368328060296 -0.10034371269618567 -0.400970040717197 -0.10034371269618567 -0.6033996654085437" pbc="F F F" Fe 0.22086729 -0.01689004 -0.22903346 -2.94761486 -3.13139009 -3.80687408 Fe 1.15142137 0.93572417 0.98055861 -12.29409158 -35.45686017 19.60424711 Fe 1.67756578 2.22516294 0.46095830 14.58987386 38.91234060 -14.76012887 Fe 2.98736736 3.99745172 1.33024966 -1.30283655 -2.52049230 -7.71456903 Fe 2.79428433 0.24064375 2.76200555 -5.29539409 -2.49249683 -3.46493756 Fe 3.98053443 1.09759444 3.74185685 4.95894573 4.17166987 4.38051064 Fe -0.09128290 2.48069883 2.61819962 1.46785261 0.41720389 -0.03734104 Fe 1.55604684 4.07636534 3.99475015 -44.81289762 107.52525619 -59.82640378 Fe 5.94546432 0.26499873 0.04153483 -93.94409095 -74.17846960 -154.48815957 Fe 6.55012441 0.74045746 1.03426861 91.73528898 70.09348984 156.49515859 Fe 7.32316245 2.26153012 0.30145827 1.04936815 4.28499516 -1.77351492 Fe 8.42712388 3.91385061 1.22088890 -0.13623011 -0.69841906 -0.95716194 Fe 7.73578848 0.79150318 3.24752218 -61.63215491 -15.95561149 -38.44331896 Fe 8.92497022 1.06567967 3.95948504 75.85680435 -4.24368628 24.23994011 Fe 5.03690210 2.71350978 2.13730575 -4.90301372 -4.41553966 -10.02385668 Fe 5.80220443 3.42873123 3.46341174 6.28913796 3.90667437 7.22779396 Fe -0.17375207 4.49365118 0.42673195 -6.89221022 -7.91300217 -6.44716218 Fe 0.82447290 5.48365875 1.32972720 8.16389345 6.86081379 7.43112785 Fe 2.04272155 7.62085647 -0.28414312 0.05016567 -0.45742230 0.82047503 Fe 3.61643991 8.32327578 1.40123177 -51.90787925 30.92638946 -34.20925322 Fe 3.28818839 4.60398937 2.96422878 -4.78707771 -10.09962506 2.94968418 Fe 4.18297782 5.94224761 3.32018597 8.97441965 11.99520893 3.52981745 Fe 0.76542829 7.36017393 3.00132959 -0.11575335 -8.02175273 -1.23233710 Fe 0.55316969 9.00322643 3.77198524 -1.31573169 4.14826066 5.33681192 Fe 4.93977516 5.30385587 0.12891241 -0.78862709 -0.30961560 0.58137629 Fe 6.36106461 6.11123760 1.57455603 1.14672320 0.20508551 0.72092641 Fe 6.88067518 8.00165966 0.05288706 -1.54762717 -0.21529869 -0.09326148 Fe 8.81264009 8.18215902 0.91806716 -0.24906512 -1.15147103 0.91170171 Fe 7.78147506 5.01841245 2.77341645 -0.07919227 -0.18373207 1.69803711 Fe 8.57808511 6.50549627 3.97718991 1.92240623 -3.31493062 -0.13905826 Fe 4.66448343 7.68403127 2.11226018 51.89611536 -29.65919116 33.78725838 Fe 6.29254616 8.65043916 4.07488203 -17.51594187 11.22614455 -9.57935546 Fe 0.27699059 0.21050145 4.62953716 -4.30632139 -2.90407007 -11.60033494 Fe 0.94678843 0.72658758 6.06886405 5.04910280 4.83439793 9.94254195 Fe 2.00297454 2.99791377 4.62151619 42.92562775 -105.58694716 61.26176397 Fe 3.64802863 3.07540258 6.48895769 -1.04336120 -0.29380632 0.31621873 Fe 2.18748376 -0.01855355 7.64172697 1.45707817 0.24991673 0.68076104 Fe 4.46083802 0.63682131 8.89947205 -2.58713030 -6.67332440 2.86251859 Fe -0.00417630 3.04168674 7.43055625 1.96841409 0.21533349 -1.65140073 Fe 1.65722822 3.86395605 8.99895428 0.29140320 -2.39058725 4.30264642 Fe 4.36999540 0.17369092 5.82305440 -0.65431121 0.70673246 1.06283715 Fe 6.48837336 1.00831489 6.43404765 -19.14483055 34.60289147 -16.70735649 Fe 8.03275711 2.13385079 4.66573727 -14.05779234 21.22134055 13.56314894 Fe 8.58393954 3.40855627 6.35140552 -2.49765861 0.60593118 -0.48498262 Fe 7.20384740 -0.14918067 7.03810700 20.28061551 -32.65687189 17.68111367 Fe 8.93198955 1.32292046 8.95586308 -1.00237533 -0.06599847 -0.83380215 Fe 5.01031963 2.06828052 8.02356789 -8.26280488 -23.98179501 -12.69476963 Fe 5.52035194 3.44622535 8.45042604 10.71086548 30.09144530 7.72082014 Fe -0.34252132 4.58933233 5.40322283 -0.35480220 0.21483523 1.23214616 Fe 0.59473158 7.04704731 5.65653406 3.83332259 3.71152981 -5.01768740 Fe 2.52734501 7.69262016 4.39246191 -84.91284324 -27.41503906 -125.18875345 Fe 3.25121736 7.91196948 5.44518862 84.28310821 25.26218916 126.26217044 Fe 2.24767421 4.94186987 7.58882798 -1.39113896 3.15049626 -6.50212043 Fe 3.89895793 5.30925250 8.98328478 0.22908806 -0.96850788 -0.03544704 Fe -0.30519708 8.18717081 7.48215882 1.49598470 -1.41239805 -0.94631083 Fe 1.85171399 8.99595574 8.67278496 -0.47901328 -0.54930735 -0.94014736 Fe 4.85798705 4.40315209 4.92208795 -1.91388803 0.10802143 2.39646790 Fe 5.89974943 6.22892384 6.12165250 20.64196616 -36.55290340 -44.31700869 Fe 7.46589572 7.82060569 4.73473505 14.85525890 -9.25763876 11.04669487 Fe 8.64260964 8.84306647 6.60697114 -1.13199124 -1.07989783 0.72633609 Fe 7.26459378 5.20201412 7.51948547 0.97447272 0.29942682 1.31395695 Fe 8.87725473 6.77735174 8.86983378 -1.07739513 0.34970545 -1.03223829 Fe 5.39757659 7.11536967 7.13716159 -20.36691096 36.84218991 43.58161497 Fe 6.49947850 8.65939049 8.93558996 0.55469540 -0.93181620 -0.71957054