32 Lattice="50.46080780029297 0.0 0.0 0.0 50.46080780029297 0.0 0.0 0.0 50.46080780029297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-89.5529073720285 stress="-1.9625539519700958e-05 1.6380654125126954e-05 -4.8159931864386305e-05 1.6380654125126954e-05 -3.466588846781651e-05 -1.675830925329622e-05 -4.8159931864386305e-05 -1.675830925329622e-05 -5.351541266090869e-05" free_energy=-89.5529073720285 pbc="F F F" Fe 25.10990815 25.35110939 25.34410266 0.35136046 -0.00582727 -0.30475098 Fe 27.20724369 26.87543769 25.09568320 -0.57785026 0.36044489 0.91180818 Fe 26.62556931 25.09298537 27.14958741 1.12582677 0.64069769 -0.35464219 Fe 25.04551041 27.01802828 26.88952937 0.81890996 0.34953576 0.67073649 Fe 28.73207569 25.11772359 25.39923216 0.19492133 0.39969392 0.67835030 Fe 30.69112010 26.78979180 25.11832233 -0.98270536 0.33695164 0.82567167 Fe 30.46027418 25.41604626 27.18744541 0.63884177 -2.05662506 -2.72639737 Fe 28.98777073 27.19575828 27.15495068 -1.99127926 -1.81387438 -1.49516098 Fe 25.25139657 28.98163259 25.35771477 0.01904584 -1.71420567 -1.43039977 Fe 27.20754511 30.44106986 25.35790583 -1.06442217 0.98946347 -1.29010500 Fe 27.06464491 28.79953614 26.86542848 -0.68725551 -1.27313999 1.26174052 Fe 25.19531504 30.42827186 26.84125563 0.33954230 1.36718243 1.29326296 Fe 28.99456914 28.98387663 25.47324449 -0.75390120 -1.81984879 -2.61595777 Fe 30.73238035 30.45274584 25.35460965 0.23627514 0.76446854 -0.11027469 Fe 30.45434590 28.92315810 27.00427558 2.50896402 -0.53449329 1.33828712 Fe 28.67306419 30.48823234 27.04392226 1.21620225 1.92411429 0.91813724 Fe 25.09200504 25.21013341 28.88749670 -0.27399860 0.37447683 -0.00909641 Fe 26.91380317 26.84796609 28.99742757 0.12907175 0.89783789 -0.80533622 Fe 26.90029910 25.09824306 30.48415350 0.31038755 -0.10724077 -0.00447857 Fe 25.16362386 26.81921350 30.71253491 0.57655104 0.54834422 -0.40265654 Fe 29.06158034 25.17524828 28.94418831 -1.60233117 0.04197005 0.77444570 Fe 30.60626592 26.80417988 28.65562010 1.02301634 2.60156003 2.96782609 Fe 30.78996666 25.39947659 30.70644678 -0.60616543 0.55722133 -0.27767099 Fe 28.58200206 26.98760062 30.82103978 0.48655481 0.00697621 -0.88090868 Fe 25.42350011 28.98633338 28.68627646 -0.24592430 -0.80161435 0.65864843 Fe 27.20940272 30.57429714 28.94300286 -1.80664522 0.67486012 -1.43080752 Fe 26.85107936 29.07039896 30.69701229 1.06445642 -2.64265451 0.00445226 Fe 25.34176106 30.49277687 30.69553927 -1.12362754 1.04960381 -0.38497065 Fe 28.87518459 28.88035981 28.76442288 -0.91435631 -0.94622833 0.58976846 Fe 30.75076581 30.54469713 28.81716085 -0.50127214 0.40046714 -0.54351150 Fe 30.46916074 28.92676295 30.34132715 0.70331206 -1.32761257 0.86719821 Fe 28.69752602 30.42149098 30.47455231 1.38849466 0.75749472 1.30679218