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=-10.4096522043 stress="-12.031467817291093 -6.025370038431502 2.3339287913213496 -6.025370038431502 -13.078334451721302 -0.5419908499992778 2.3339287913213496 -0.5419908499992778 -6.3822532111187815" pbc="F F F" Fe 0.12961200 -0.12574141 0.15720406 -12.92474625 -20.91733681 -6.86440685 Fe 1.26564846 1.38507600 0.29768454 23.40583769 20.84743665 -9.88812100 C 1.33815122 0.12301005 1.51927708 4.13203737 -4.88869265 5.35540311 C -0.02988876 1.20220318 1.21755886 -14.61312881 4.95859280 11.39712474