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=-1.285782016105339 stress="-1.1900246069622258 -0.05781064352563364 -0.3905825929726919 -0.05781064352563364 -1.2180534837856671 0.31344211162405017 -0.3905825929726919 0.31344211162405017 -1.2221317813085" free_energy=-1.285782016105339 pbc="F F T" Fe 0.24122900 0.02201293 2.81634348 -7.35767173 -17.23675266 8.07213364 Fe 1.42534241 1.48566276 2.81443107 15.29852616 11.05151067 8.13930359 Fe 1.54376171 0.19273990 1.32006208 8.40244346 -6.95305191 -1.43472407 Fe 0.05332204 1.38436473 1.73110688 -16.34329790 13.13829390 -14.77671316