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=14.574785007116404 stress="-1.7318610824397536 -0.22329612062909135 -0.2957236674296095 -0.22329612062909135 -1.8754472422831236 0.21410809254775603 -0.2957236674296095 0.21410809254775603 -1.5889633085691466" pbc="F T F" Fe 0.05473499 -0.12063495 0.13661615 -23.42735705 1.43735756 -21.24212408 Fe 1.40480033 1.28303047 0.11041876 12.27691636 2.11385644 -13.79945516 Fe 1.26735611 -0.16466555 1.24148635 25.25794616 2.78232353 21.60023505 Fe 0.08611608 1.53369179 1.52598936 -14.10750546 -6.33353753 13.44134420