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=-5.299964489649824 stress="-20.941563298598766 2.8770756209512243 14.294492857678454 2.8770756209512243 -5.337707173053895 -4.4954327077629115 14.294492857678454 -4.4954327077629115 -19.37268795618404" pbc="F F F" Fe -0.24440284 -0.29821528 0.29874826 -2.54073289 -2.05988744 -1.84936434 Fe 1.27290972 1.38090187 -0.13863341 12.77441086 -2.02191941 -12.83758332 Fe 1.55835534 -0.25560816 1.48193431 1.97848579 -0.29318069 1.69030193 Fe -0.07998135 1.70070203 1.20342959 -12.21216376 4.37498754 12.99664573