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=-8.851481353956867 stress="0.9763854351616215 2.5873677214457973 -3.9500130511324087 2.5873677214457973 0.6409445973433845 2.3402223135370974 -3.9500130511324087 2.3402223135370974 -0.07716787169278305" pbc="F F F" Fe -0.10109602 -0.21770305 0.24011563 -0.12791412 1.73773658 -0.29605478 Fe 1.68745344 1.52015752 -0.12029223 -2.22694087 0.01958082 0.10228766 C 1.77711528 -0.12128882 1.55190732 1.66257697 -1.42580740 1.85718690 C -0.26874888 1.40368156 1.63616082 0.69227803 -0.33151000 -1.66341979