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=-7.997697264206645 stress="-5.594604966356695 -0.10380779814532332 -3.1046311239450457 -0.10380779814532332 -3.383226322721382 -1.691714340359984 -3.1046311239450457 -1.691714340359984 -5.079072527844619" pbc="F F F" Fe 0.12990665 -0.21779550 0.28278197 -3.06399302 -1.86716471 -3.49154302 Fe 1.56210000 1.63362859 -0.17297059 0.52094142 0.25995989 -0.47041763 Fe 1.57034430 -0.07428023 1.55473499 3.25942605 0.04587596 2.79645756 Fe -0.08438932 1.63661615 1.40480033 -0.71637445 1.56132887 1.16550309