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=-13.744212503200252 stress="-0.7114942836403266 -0.013758206370708187 -0.24841534764747952 -0.013758206370708187 -0.6351255836422458 -0.12831455012929846 -0.24841534764747952 -0.12831455012929846 -0.1388990780691009" free_energy=-13.744212503200252 pbc="F F T" Fe 0.23212867 0.17871475 0.19104769 -10.86350658 -8.26781733 -8.43562141 Fe 1.46850990 1.45283623 2.54769619 6.59206454 5.34690280 1.22629929 C 1.20072959 0.15756325 1.34628414 11.80206011 -6.94395192 5.26005587 C 0.28145317 1.21156333 1.41738082 -7.53061807 9.86486645 1.94926626