256 Lattice="14.552379608154297 0.0 0.0 0.0 14.552379608154297 0.0 0.0 0.0 14.552379608154297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-956.0812534148607 stress="-0.0045317329424820006 -0.00011624782622014865 -0.00022669101327297934 -0.00011624782622014865 -0.004464225207120827 0.00039592931963251864 -0.00022669101327297934 0.00039592931963251864 -0.004471777915958874" free_energy=-956.0812534148607 pbc="F F F" Fe 0.02385800 0.02082372 0.01917163 0.23313775 0.15759970 0.21603337 Fe 1.79685863 1.81126815 0.01051576 0.20699766 -0.05075847 -0.03060910 Fe 1.78644621 0.03232744 1.85125024 0.25497057 -0.20039465 -0.35259845 Fe 0.01891763 1.78337996 1.81152023 -0.23551470 0.22015497 -0.08282325 Fe 3.61255583 0.00330881 0.03141216 -0.15400956 0.15944535 0.18669766 Fe 5.43291498 1.78380034 0.03765431 0.19803802 0.18610347 -0.20337701 Fe 5.44050018 0.00926894 1.79434765 0.09306807 -0.15940822 0.13049695 Fe 3.67296164 1.83172719 1.83366000 -0.31480013 -0.17779906 -0.24501047 Fe 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