500 Lattice="17.796402487586526 0.0 0.0 0.0 17.796402487586526 0.0 0.0 0.0 17.796402487586526" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1907.3930070438464 stress="-0.006177431108511922 0.0007125443897416031 -0.0005149859599129905 0.0007125443897416031 -0.006362137770239098 0.00010250143541156241 -0.0005149859599129905 0.00010250143541156241 -0.006182463844732874" free_energy=-1907.3930070438464 pbc="F F F" Fe 0.00158994 0.00405683 0.03044046 1.16368020 1.14545891 1.10722731 Fe 1.80998340 1.77735039 0.02220859 -0.57401907 -0.37830847 -0.21007974 Fe 1.78535934 0.02901421 1.80195085 -0.67210808 -0.35974852 -0.50892529 Fe 0.01912129 1.79910861 1.78975768 -0.18962456 -0.60788297 -0.57491584 Fe 3.54518558 0.01741456 0.02359949 0.07433519 0.57200721 0.63454345 Fe 5.36654791 1.76978786 0.03270907 -0.20155675 -0.26275424 -0.35268418 Fe 5.33970101 0.03288049 1.80407733 -0.06732629 -0.27972885 -0.38388293 Fe 3.53268086 1.75679833 1.79995577 0.23105569 0.14686786 -0.34121475 Fe 7.09445725 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