32 Lattice="7.181167645470514 0.0 0.0 0.0 7.181167645470514 0.0 0.0 0.0 7.181167645470514" Properties=species:S:1:pos:R:3:forces:R:3 energy=-93.00220067209563 stress="-0.007922601035415396 -0.0015593753001450223 0.0009636123114363399 -0.0015593753001450223 -0.005416269459291233 0.00047523109051380875 0.0009636123114363399 0.00047523109051380875 -0.00670103143400178" free_energy=-93.00220067209563 pbc="F F F" Fe 0.02840400 0.01778972 0.02582663 0.12475471 0.15554915 0.08917797 Fe 1.82051433 1.80802016 0.01733906 0.01416827 -0.00943901 -0.39958962 Fe 1.80232047 0.02620440 1.77714623 -0.00336165 -0.35430590 0.13531708 Fe 0.00706769 1.82873170 1.76686211 -0.44256141 -0.19594782 0.05457037 Fe 3.62546930 0.03024516 0.02562127 -0.11244919 0.01029515 0.02872607 Fe 5.39350760 1.77702483 0.05756390 0.13403786 0.19906334 -0.04096471 Fe 5.39574532 0.03398905 1.83341130 0.04921448 -0.19683498 0.04082615 Fe 3.62423121 1.82086823 1.82979320 -0.17062030 -0.16308870 -0.19130547 Fe 0.02930970 3.61116114 0.02701967 -0.23020069 -0.19726722 -0.22211716 Fe 1.76894538 5.36217311 0.02231393 0.29328365 0.09209082 -0.18189636 Fe 1.78787106 3.60499356 1.76911858 0.16902683 -0.20198337 0.20171213 Fe 0.03562116 5.36189977 1.77266936 -0.17162779 0.12462135 0.18706034 Fe 3.62313696 3.56551857 0.02964055 -0.03455183 0.15321882 -0.36172454 Fe 5.40545704 5.36638617 0.00997943 -0.21874558 -0.18561136 0.23516923 Fe 5.38369678 3.62423861 1.82114781 0.48902890 -0.08689358 0.00543948 Fe 3.56295171 5.37804515 1.81270534 0.16889998 0.38404764 -0.11648771 Fe 0.03007884 0.02140611 3.62257962 -0.09557640 0.07760909 -0.30335316 Fe 1.77551203 1.79216643 3.58080821 0.14585592 0.14258103 -0.03486625 Fe 1.78080409 0.02099196 5.35038066 0.21516068 -0.08125331 0.19960031 Fe 0.06083771 1.82258625 5.39848846 -0.09991942 0.08134231 0.15092187 Fe 3.57190393 0.02987174 3.59121940 0.07286709 -0.35300282 0.10890884 Fe 5.39152942 1.76894791 3.60777766 0.40185583 0.18651332 0.09529877 Fe 5.38177907 0.01390285 5.41887871 -0.29172201 0.26280560 -0.27968084 Fe 3.58881645 1.82699515 5.40836658 -0.10150636 -0.16054849 0.19239346 Fe 0.00644106 3.55841758 3.56452740 -0.35628902 0.23465626 0.19603104 Fe 1.78306931 5.36617727 3.58093474 -0.06861403 0.36279926 0.15986462 Fe 1.81777067 3.59921477 5.37643661 -0.08288558 0.10223812 0.34595964 Fe 0.00444923 5.39647809 5.41222958 0.30917700 -0.41165724 -0.31730226 Fe 3.58092142 3.57081452 3.55930171 0.12218387 0.17489308 0.31956998 Fe 5.39596773 5.38392162 3.61375993 -0.09788710 0.00220119 -0.05094789 Fe 5.36305204 3.58830237 5.39747517 -0.04189400 -0.06512488 -0.10168483 Fe 3.59420976 5.37767904 5.39250627 -0.08910273 -0.08356684 -0.14462654