4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=1.2386932037416292 stress="-1.748623230195064 -0.19867773362062482 0.07575371055274287 -0.19867773362062482 -1.8022518877152132 -0.24691399669456773 0.07575371055274287 -0.24691399669456773 -2.0604402608780266" pbc="T F T" Fe -0.04210664 0.19178619 0.17895518 11.30313739 -17.21850650 -12.22723611 Fe 1.79140871 1.61455359 0.03253581 -13.60259827 13.87293341 -2.57799345 Fe 1.64904689 0.10609294 1.46603997 -18.19829983 -20.68564377 5.25900739 Fe -0.19401975 1.32157598 1.51361598 20.49776072 24.03121686 9.54622218