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=4.2771479204745795 stress="-16.668714577875136 1.09938492864122 -2.5163526383717327 1.09938492864122 -22.333833798873982 -7.585192452762593 -2.5163526383717327 -7.585192452762593 -21.220088827844652" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -6.37547074 -11.24617577 -12.23306701 Fe 1.70960170 1.31143450 -0.16166483 4.65536205 3.20986279 -2.96756723 Fe 1.28829595 -0.16490224 1.64041416 5.40978399 -4.25785516 6.08771247 Fe -0.22187219 1.51878885 1.32834452 -3.68967530 12.29416814 9.11292177