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=0.4861045800680126 stress="-1.3133749279347389 0.21422319047757613 -0.15354121813656912 0.21422319047757613 -1.1375261332766888 0.015479373740984799 -0.15354121813656912 0.015479373740984799 -1.8415615482877368" free_energy=0.4861045800680126 pbc="F F T" Fe 0.26235339 0.21005355 0.21211731 -10.06198033 -15.30804972 -6.33938697 Fe 1.44968690 1.79594673 0.21042663 6.24838986 8.90213182 -2.01640933 Fe 1.49042854 0.24122900 1.52201293 19.96024345 -10.33655112 5.78313606 Fe 0.04376171 1.22051529 1.69273990 -16.14665298 16.74246903 2.57266024