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=-8.69346297909 stress="2.2829609618565128 0.18678517242498277 -0.27462180780990614 0.18678517242498277 -0.08457034080390585 2.2765483258167705 -0.27462180780990614 2.2765483258167705 -0.2645872873089973" pbc="F F F" C -0.03149010 -0.04716377 -0.21646835 3.94736109 2.82249682 2.30523734 Fe 1.20072959 1.51229390 -0.15371586 -3.82584662 3.55189285 -4.15558936 Fe 1.29061752 0.24339277 1.21156333 -3.80774187 -4.01652920 4.66820250 C -0.08261918 1.65093924 1.64803915 3.68622739 -2.35786047 -2.81785048