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=-0.998899214653128 stress="-1.4621260883254426 -0.11457656049930005 -0.12561218749282727 -0.11457656049930005 -2.3149185865754793 -0.01148352813149008 -0.12561218749282727 -0.01148352813149008 -0.8383134618414736" pbc="T F F" Fe 0.14904689 0.10609294 0.01361598 -21.04504221 -21.94734634 -8.16672808 Fe 1.35198705 1.47567541 0.06329927 19.78534865 22.25301741 -4.87476876 Fe 1.16337955 0.09073906 1.77219963 16.82824613 -21.09041146 8.37660219 Fe 0.11747042 1.63132919 1.75978669 -15.56855257 20.78474039 4.66489464