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=-2.4398779861001856 stress="-8.412451383781628 -3.3207811499184494 -2.878009937033713 -3.3207811499184494 -27.566273045415212 -22.76831288023743 -2.878009937033713 -22.76831288023743 -28.538464581370565" pbc="F F F" Fe -0.22958397 0.19178619 0.17895518 -4.86974255 -21.79539117 -22.51823250 Fe 1.64339576 1.59022900 0.09583508 2.54270967 1.38352339 -2.07641960 Fe 1.58650132 -0.12834868 1.53990620 1.97152765 -2.01398212 1.20693960 Fe -0.03396003 1.30598025 1.32157598 0.35550523 22.42584990 23.38771251