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=-6.893197991323077 stress="-0.124145976368345 -0.027649303643148236 0.08256445458782717 -0.027649303643148236 -1.2491999550416808 -0.9143160456254958 0.08256445458782717 -0.9143160456254958 -1.2941214047399516" pbc="F F T" Fe 0.15093924 0.14803915 -0.23583546 -1.32332717 -5.95465663 3.47621553 Fe 1.71693650 1.46394802 -0.20978981 1.24549819 24.34120757 25.84395295 C 1.76599513 0.35297760 1.55957798 0.87317906 -23.17214647 -26.41947603 C 0.16192607 1.49509235 1.53099333 -0.79535008 4.78559552 -2.90069245