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=-6.742754596397262 stress="-8.43177581253874 -1.3262397337516965 2.8581284981623525 -1.3262397337516965 -7.9340611078502645 -1.5735571276840872 2.8581284981623525 -1.5735571276840872 -10.95527468852202" pbc="F F F" Fe 0.13661615 -0.09519967 -0.12280496 -2.67179830 -3.82972320 -3.30926514 Fe 1.29869006 1.61041876 -0.23264389 4.91088657 2.24555338 -3.98242753 Fe 1.33533445 -0.25851365 1.58611608 1.91642916 -0.86061225 1.93619915 Fe 0.03369179 1.52598936 1.22329650 -4.15551743 2.44478208 5.35549353