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=-6.87190549675 stress="-0.8221497681252864 0.010658098067483386 -0.1763615481441304 0.010658098067483386 -1.4275728844259972 -0.6416887595780534 -0.1763615481441304 -0.6416887595780534 -1.31398295746968" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -1.69141736 -3.87082046 -4.17010471 Fe 1.70960170 1.31143450 0.04092907 1.22473370 0.87794369 -0.78684590 Fe 1.28829595 -0.16490224 1.64041416 1.29511341 -1.13823051 1.66560748 Fe -0.15683090 1.51878885 1.32834452 -0.82842974 4.13110728 3.29134313