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=-13.2958141542 stress="0.49459642817320365 1.0784341985536696 0.5619098229104277 1.0784341985536696 -0.49120628227430607 0.05741695844456092 0.5619098229104277 0.05741695844456092 0.7328626304391381" pbc="F F F" C 0.00041025 -0.01399153 -0.14555376 3.30949025 0.91354438 2.16824343 C 1.49188881 1.56482696 -0.15379940 -1.26226773 -1.36424723 -0.00593718 Fe 1.47452630 -0.29424575 1.46963223 -0.02117710 -2.19547847 -1.65861944 Fe 0.15586213 1.40395547 1.09250092 -2.02604542 2.64618132 -0.50368681