16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.9912771027686 stress="4.301148002975544e-05 8.897091661290645e-05 2.8665532043924438e-05 8.897091661290645e-05 0.00012943843710012083 9.359491095273428e-06 2.8665532043924438e-05 9.359491095273428e-06 3.2715058384445507e-05" free_energy=-40.9912771027686 pbc="F F F" Fe 21.25413394 21.13451529 20.83475878 0.51180887 0.77495622 0.81517482 Fe 22.75978669 22.22592512 22.28504734 -3.05954033 3.48023254 0.44649347 Fe 24.18365717 21.20288723 21.08343331 0.37424828 -0.86768324 -1.57463983 Fe 25.29585403 22.44809454 22.62179657 0.55107873 1.62214175 0.67126323 Fe 21.23171545 24.18190327 20.82183498 0.73081327 -0.99159323 1.04306422 Fe 22.71219253 25.42485375 22.62990665 -3.39385821 3.83778612 -2.86033369 Fe 23.78220450 24.28278197 21.06003547 0.69732485 -1.52489678 -0.42588740 Fe 25.63362859 25.32702941 22.57034430 -0.90764334 -0.65938283 0.70291639 Fe 21.04852473 21.05473499 23.91561068 0.96197156 1.02358847 -0.82558735 Fe 22.91848853 22.40480033 25.37719504 -0.96359417 1.22374391 -0.37822780 Fe 23.79869006 21.11041876 23.76735611 0.88060781 -1.59822840 1.24600896 Fe 25.33533445 22.24148635 25.58611608 -0.57009974 1.15853021 -1.17329940 Fe 21.03369179 24.02598936 23.73330842 0.58634192 -1.29981400 -0.46735881 Fe 22.44828775 25.28376908 25.25559716 -0.12921583 0.38218011 1.16181783 Fe 23.70178472 24.29874826 23.77290972 4.73316393 -5.43514518 2.85642518 Fe 25.38090187 25.36136659 25.55835534 -1.00340759 -1.12641565 -1.23782983