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=-2.30022430454736 stress="-0.6839331474251058 -0.12376387801923897 -0.04520295326513702 -0.12376387801923897 -0.5472743104004828 0.13252065759030537 -0.04520295326513702 0.13252065759030537 -0.6487413336809392" free_energy=-2.30022430454736 pbc="F T F" Fe 0.05473499 -0.08438932 0.13661615 -8.94430226 -0.88558067 -7.45403111 Fe 1.40480033 1.10049154 0.11041876 6.21740988 3.65250535 -6.73719885 Fe 1.26735611 -0.16466555 1.24148635 8.45443276 -1.27210957 8.35630527 Fe 0.08611608 1.53369179 1.52598936 -5.72754038 -1.49481511 5.83492469