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=13.22091367057048 stress="-2.540772829835481 -0.7479645959751552 1.0087406641576262 -0.7479645959751552 -4.61386887602533 1.0623313625012696 1.0087406641576262 1.0623313625012696 -3.8765887172139952" pbc="F T T" Fe 0.22094491 0.23171545 0.18190327 -23.55102776 -1.84105418 -12.34120380 Fe 1.32183498 1.71219253 -0.07514625 24.70197240 -33.89603557 23.28769373 Fe 1.62990665 -0.21779550 1.78278197 26.29398764 40.30312511 -34.83336589 Fe 0.06210000 1.70397289 1.32702941 -27.44493228 -4.56603536 23.88687596