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=-1.600769497221428 stress="-1.9238845411363725 0.33264994254653374 0.5241216395691265 0.33264994254653374 -1.8887200877333985 0.10801705264599264 0.5241216395691265 0.10801705264599264 -1.6342771822399071" pbc="T T T" Fe 0.16431082 -0.18574270 -0.07855343 -13.60451254 11.48177686 5.64465008 Fe 1.25280195 1.39971974 -0.12633864 7.72176274 -11.58133891 5.92696754 Fe 1.46097674 -0.21780693 1.71813893 0.75574607 14.61510886 -11.39518518 Fe -0.23283931 1.69410236 1.33096497 5.12700373 -14.51554681 -0.17643244