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=2.100747802815604 stress="-2.22140350074962 0.1932314277359566 -0.24942425071996382 0.1932314277359566 -1.7535627112410859 0.32196250497386203 -0.24942425071996382 0.32196250497386203 -2.017099509809622" free_energy=2.100747802815604 pbc="T F T" Fe 2.78984966 0.18107110 2.82825321 14.11112810 -19.82910803 17.75982048 Fe 1.63102478 1.59995250 0.26120756 -6.62431666 15.89955861 -0.42698427 Fe 1.51193751 0.25226748 1.70286593 -11.05845473 -14.63491663 -12.14145342 Fe 0.04396501 1.57236142 1.70379337 3.57164329 18.56446605 -5.19138279