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=-7.374992406863277 stress="-4.603279327005891 -1.4215144769565302 0.2947323657922536 -1.4215144769565302 -6.106797475350096 -0.7210773098743128 0.2947323657922536 -0.7210773098743128 -4.545097218483434" pbc="F F F" Fe -0.12280496 -0.20130994 0.11041876 -1.97542026 -3.25246246 -1.38664091 Fe 1.26735611 1.33533445 -0.25851365 1.79725265 2.05006214 -1.56131233 Fe 1.58611608 0.03369179 1.52598936 1.14462422 -0.66745832 1.25048554 Fe -0.27670350 1.46375436 1.40583543 -0.96645661 1.86985863 1.69746769