32 Lattice="50.51800537109375 0.0 0.0 0.0 50.51800537109375 0.0 0.0 0.0 50.51800537109375" Properties=species:S:1:pos:R:3:forces:R:3 energy=-89.83802936448015 stress="-3.3066300544482176e-05 6.931399720652374e-06 -4.3790017909384797e-05 6.931399720652374e-06 -2.3944806628183396e-05 -1.3812385733927636e-05 -4.3790017909384797e-05 -1.3812385733927636e-05 -4.303591545584386e-05" free_energy=-89.83802936448015 pbc="F F F" Fe 25.13850693 25.37970818 25.37270144 0.37402293 0.00969309 -0.27667968 Fe 27.23788524 26.90607925 25.12428199 -0.60916579 0.22074935 1.03966875 Fe 26.65621087 25.12158415 27.18022896 1.33951832 0.50612834 -1.18396260 Fe 25.07410920 27.04866984 26.92017093 0.90683510 0.20396181 0.46589393 Fe 28.76476002 25.14632238 25.42783094 0.27403715 0.55931648 0.67030991 Fe 30.72584719 26.82043336 25.14692111 -1.03962779 0.26168708 0.89643547 Fe 30.49500128 25.44464505 27.21808697 0.41318346 -1.87779009 -2.51535617 Fe 29.02045506 27.22639983 27.18559224 -1.67611784 -2.11394601 -1.13042198 Fe 25.48366439 29.01431692 25.38631356 -0.85177988 -1.61309137 -1.73627868 Fe 27.23818667 30.47579696 25.38650461 -0.78723342 1.33226144 -1.12540167 Fe 27.09528646 28.83222046 26.89607003 -0.34828622 -1.21309066 1.80533959 Fe 25.22391382 30.46299896 26.92052664 0.42689201 1.10135109 0.82906475 Fe 29.02725346 29.01656096 25.50184328 -0.70247721 -1.81284763 -2.64767108 Fe 30.76710744 30.48747294 25.38320843 0.15694360 0.71184110 0.00329826 Fe 30.48907300 28.94078768 27.03491714 2.55521248 -0.35970965 1.26036888 Fe 28.70574851 30.52295943 27.07456381 1.40778720 1.95934565 0.88670938 Fe 25.30291025 25.23873220 28.92018103 -1.59478872 -0.36559040 0.26506783 Fe 26.76395384 26.87860764 28.86286021 1.51240354 1.36510682 0.12830368 Fe 26.93094066 25.12684185 30.51888059 0.64074378 0.46241389 0.11587985 Fe 25.19222264 26.84985505 30.74726200 0.64664764 0.48928011 -0.47162371 Fe 29.09426466 25.20384707 28.97687264 -1.15663454 0.67500643 0.72756017 Fe 30.80551141 26.83482143 28.68830442 0.16268979 2.13104466 2.41928246 Fe 30.82469376 25.42807537 30.74117388 -0.64595244 0.64274364 -0.33866458 Fe 28.69558956 27.25485627 30.85576688 0.13146932 -0.30102302 -1.03675384 Fe 25.45209890 29.01901770 28.71896079 -0.45425820 -0.63813959 0.81375463 Fe 27.24004427 30.60902424 28.97568719 -1.09564302 0.53324704 -0.68547922 Fe 26.88172092 29.10308329 30.73173939 0.10394812 -2.82681484 -0.09888891 Fe 25.37035984 30.52750396 30.73026637 -1.04095081 1.00456846 -0.44447487 Fe 28.90786892 28.91304413 28.79710721 -0.78949730 -0.74089726 0.49933063 Fe 30.78549291 30.57942422 28.84984518 -0.74682375 0.31040065 -0.43564316 Fe 30.50388784 28.95944728 30.37605425 1.50417187 -1.48516327 0.78847120 Fe 28.73021035 30.22208796 30.74409787 0.98273065 0.86795662 0.51256079