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=-0.057209544676679214 stress="-2.358911370169539 1.1453167267811557 0.7323537255966128 1.1453167267811557 -2.323272897872699 -0.03470444030194176 0.7323537255966128 -0.03470444030194176 -1.364627460894316" pbc="T F F" Fe -0.21908774 0.10609294 0.01361598 7.98999933 -24.81362709 -3.88191282 Fe 1.35198705 1.47567541 0.06329927 6.66124438 22.34059708 -19.91674710 Fe 1.16337955 0.09073906 1.77219963 11.48914740 -18.40796093 5.24729523 Fe 0.11747042 1.63132919 1.55564072 -26.14039111 20.88099095 18.55136469