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=13.179685511666278 stress="-3.4797267129472913 -0.9699127291075436 -0.503199789179373 -0.9699127291075436 -3.777366674427853 0.495476817649799 -0.503199789179373 0.495476817649799 -2.9558976719419117" pbc="F T F" Fe 0.04852473 0.01848935 0.13661615 -46.67768750 -6.28125087 -35.82523360 Fe 1.40480033 1.28303047 0.11041876 26.46749337 14.43983781 -30.03974383 Fe 1.26735611 -0.16466555 1.24148635 48.50468668 5.84973090 43.89676225 Fe 0.08611608 1.53369179 1.52598936 -28.29449255 -14.00831784 21.96821518