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=37.34346612135337 stress="-5.2895312996305455 0.5771967489473385 -0.6668082839115042 0.5771967489473385 -4.775967456408488 -0.25658646239961636 -0.6668082839115042 -0.25658646239961636 -6.03978568581985" pbc="F F T" Fe 0.08611608 0.03369179 0.02598936 -44.12551626 -49.70015793 -34.54809522 Fe 1.22329650 1.46375436 -0.09416457 39.42495678 50.40425626 -17.51766574 Fe 1.25559716 0.29874826 1.27290972 81.95048523 -60.90882455 32.88387823 Fe 0.05835534 1.24645637 1.40195296 -77.24992574 60.20472623 19.18188272