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=-1.1563822274596016 stress="-44.00021134982233 8.0093133191741 13.387853543892682 8.0093133191741 -28.84023628596168 -0.5953573499197482 13.387853543892682 -0.5953573499197482 -41.33290422576816" pbc="F F F" Fe -0.06786244 -0.04210664 -0.04844391 -2.82058157 -8.54653043 -11.10710360 Fe 1.27041603 1.69178619 0.17895518 10.83713257 10.76483744 -16.22434943 Fe 1.79140871 0.11455359 1.46999024 19.01893637 -13.35545664 1.45911615 Fe 0.14904689 1.05938083 1.60609294 -27.03548736 11.13714964 25.87233687