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=-3.318720868587338 stress="-23.356783501750574 8.536203340733593 -1.0604770129325232 8.536203340733593 -28.54549815080408 1.7998729302346987 -1.0604770129325232 1.7998729302346987 -10.738978727122474" pbc="F F F" Fe 0.19410236 -0.16903503 -0.11798803 -6.08670978 -7.33030759 -2.44503863 Fe 1.43300593 1.22002482 -0.22303573 6.69417276 6.21115317 -3.37239804 Fe 1.41661558 -0.03487808 1.72586561 13.47103462 -14.55675828 4.14883935 Fe 0.29391194 1.22614529 1.52103145 -14.07849760 15.67591270 1.66859732