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=2.3521239774966873 stress="-1.898529975165972 0.25403468953728364 0.2588560354496056 0.25403468953728364 -1.666658019655881 -0.13785534286614318 0.2588560354496056 -0.13785534286614318 -1.5275460016449431" pbc="T F F" Fe 0.04396501 0.07236142 0.20379337 7.75069111 -22.47941106 -18.13046456 Fe 1.73854596 1.26922180 0.02031036 -1.16169316 14.79411181 -16.39339944 Fe 1.68745344 0.02015752 1.37970777 -2.31053353 -12.69997055 16.01522086 Fe 0.41327610 1.37871118 1.25213077 -4.27846442 20.38526981 18.50864315