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=-9.47772244307562 stress="10.694908110549276 -10.542467760658374 2.5012305255566005 -10.542467760658374 2.8808128153703585 -2.3565389084776713 2.5012305255566005 -2.3565389084776713 -1.934802563055897" pbc="F F F" Fe -0.24137667 0.15720406 -0.23435154 -0.70058463 -1.97812207 -1.12041102 C 1.38507600 1.79768454 -0.01726309 1.93209588 1.02461913 -0.21649947 Fe 1.35881688 0.18372887 1.47011124 -8.39474686 5.39037556 -1.25175574 C -0.29779682 1.21755886 1.35541431 7.16323561 -4.43687262 2.58866622