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=-10.18509641731803 stress="-1.6004863676851504 -0.5464571026031512 -0.22028602115965568 -0.5464571026031512 -0.7947331218184277 -0.16272999725634527 -0.22028602115965568 -0.16272999725634527 -1.7807340895249086" free_energy=-10.18509641731803 pbc="T F F" Fe 0.25980354 0.55239588 0.10338854 -13.69286211 -11.93432176 -28.80945862 C 1.57223754 1.48694277 0.18843096 9.63134401 8.61369737 -7.84938852 Fe 1.67061300 0.29169807 1.46863002 -2.31030683 -10.03017393 16.74876791 C 2.94630638 1.36081551 1.40329508 6.37182492 13.35079832 19.91007923