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=12.860916860758312 stress="-4.525755515405302 -1.8746315375095732 0.5383979413273778 -1.8746315375095732 -4.521498642664556 -0.9278481287942727 0.5383979413273778 -0.9278481287942727 -3.5368705561977847" free_energy=12.860916860758312 pbc="T F T" Fe 0.16431082 0.03277713 2.89971974 -4.84184745 -31.47999948 -14.61314556 Fe 1.37366136 1.46097674 2.55915734 6.75092178 36.93718925 21.31416476 Fe 1.71813893 0.19410236 1.24758055 -35.22996740 -62.12598754 -3.22380191 Fe 2.88201197 1.43300593 1.22002482 33.32089307 56.66879776 -3.47721728