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=-0.33001108874481205 stress="-1.3223672554638322 -0.8721193141691282 0.7146070530917059 -0.8721193141691282 -1.9232230342931647 -0.4447635937122659 0.7146070530917059 -0.4447635937122659 -1.472437519200224" pbc="T F F" Fe 0.49905994 0.01855009 0.03691384 -25.13861755 -38.84778718 -11.60301976 C 1.20677130 1.37336370 0.22577322 46.64898805 34.97291779 -19.77015004 C 1.46091025 0.05612136 1.58045333 4.98188502 0.87433230 5.72013178 Fe 0.03273964 1.52240989 1.38803420 -26.49225552 3.00053709 25.65303802