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=-3.2730254349766232 stress="-8.276602673135125 -3.081188712769645 -2.686027044317873 -3.081188712769645 -26.25354821742659 -21.48592428386128 -2.686027044317873 -21.48592428386128 -27.171836162626427" pbc="F F F" Fe -0.22958397 0.19178619 0.17895518 -4.65389271 -20.64410305 -21.35259695 Fe 1.64339576 1.59022900 0.09583508 2.49637495 1.35939114 -2.04913832 Fe 1.58650132 -0.12834868 1.53990620 1.96171347 -1.99787223 1.20094311 Fe -0.03396003 1.30598025 1.32157598 0.19580428 21.28258414 22.20079217