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=-9.654979617113732 stress="5.772327395429434 1.7694747797405959 4.512317348001402 1.7694747797405959 14.155900117643437 11.502900829609619 4.512317348001402 11.502900829609619 16.662408717997778" pbc="F F F" C 0.28004788 -0.23976508 0.24849743 3.81691230 10.47251592 12.30358865 C 1.75911890 1.69019325 0.19877714 -0.53658079 -0.42367144 1.42086914 Fe 1.60881314 0.13250256 1.60031152 -3.67913543 -2.19383917 -6.24710728 Fe 0.05442580 1.35431870 1.33803242 0.39880391 -7.85500531 -7.47735051