500 Lattice="17.973207211152168 0.0 0.0 0.0 17.973207211152168 0.0 0.0 0.0 17.973207211152168" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1921.2896762599185 stress="-0.006053134691491322 -0.0005092460948856561 -0.000288074789888249 -0.0005092460948856561 -0.006137045341340834 -0.00011989613456560809 -0.000288074789888249 -0.00011989613456560809 -0.006220254107123602" free_energy=-1921.2896762599185 pbc="F F F" Fe 0.01279835 0.02330055 0.01800806 0.07565050 0.21575982 0.14855059 Fe 1.78558813 1.80755922 0.03235422 0.00456060 0.03497209 -0.25843460 Fe 1.78321837 0.00650858 1.76183930 0.06939473 -0.15666222 0.24873733 Fe 0.00543866 1.83310468 1.82803816 -0.25280284 -0.33477505 0.02452111 Fe 3.56843096 0.01646510 0.00625502 0.17047137 0.09292052 0.08961780 Fe 5.41829359 1.77485869 0.01755544 -0.39406251 0.22249401 -0.25121084 Fe 5.42480182 0.01486751 1.80277760 -0.34409037 -0.26755525 -0.02216745 Fe 3.57516042 1.82870517 1.78760868 0.14583853 -0.25582429 0.08499512 Fe 7.17938324 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