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=13.457204877114703 stress="-3.2519805139627493 0.1092781823818602 -0.08087907538723463 0.1092781823818602 -2.903208785320388 0.7818381212987594 -0.08087907538723463 0.7818381212987594 -2.7623543833404542" pbc="T F F" Fe 0.08343331 0.22094491 0.23171545 -20.85050458 -20.53223491 -26.68947525 Fe 1.50893269 1.32183498 0.21219253 14.28370621 45.77772016 -37.52722503 Fe 1.42485375 0.12990665 1.28220450 19.18902658 -43.18447024 46.02788768 Fe 0.28278197 1.56210000 1.63362859 -12.62222821 17.93898499 18.18881260