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=2.486962819350736 stress="-1.7844380779453546 -0.6099626215588874 -0.039909249949790546 -0.6099626215588874 -1.5624258957287593 0.15744906598721234 -0.039909249949790546 0.15744906598721234 -1.0440464467040524" free_energy=2.486962819350736 pbc="F T F" Fe 0.04852473 0.35348325 0.13661615 -27.83918817 -12.34890177 -11.47268513 Fe 1.40480033 1.15010476 0.11041876 23.90730403 15.98739946 -11.29824952 Fe 1.26735611 2.83533445 1.24148635 13.21249992 -4.29849282 13.15998400 Fe 0.08611608 1.53369179 1.52598936 -9.28061579 0.65999513 9.61095066