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=23.298761872375245 stress="-2.435577897110608 -0.44925536468781585 -0.18974152624924018 -0.44925536468781585 -2.9518340100006406 0.25156302780989037 -0.18974152624924018 0.25156302780989037 -2.2160874052424195" pbc="F T F" Fe 0.04852473 0.01848935 0.13661615 -31.21087828 -2.80087949 -26.30582252 Fe 1.40480033 1.28303047 0.11041876 20.66060626 7.09269950 -22.11499622 Fe 1.26735611 -0.16466555 1.24148635 31.61298915 2.26166978 28.18804508 Fe 0.08611608 1.53369179 1.52598936 -21.06271713 -6.55348980 20.23277367