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=14.420589929302455 stress="-1.3475084412641418 -0.36281564812667605 0.3961017341726491 -0.36281564812667605 -2.236629906700072 0.42159284090971194 0.3961017341726491 0.42159284090971194 -2.0684840211344855" pbc="F T T" Fe 0.22094491 0.30205975 0.18190327 -12.69193872 -4.41203345 -4.99954260 Fe 1.32183498 1.71219253 -0.07514625 11.69864267 -15.36726026 13.78642499 Fe 1.62990665 -0.21779550 1.78278197 15.09215975 19.04286266 -17.39234657 Fe 0.06210000 1.68215332 1.32702941 -14.09886371 0.73643105 8.60546418