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=-9.1162908378465 stress="-1.301611066595901 0.14231711780079534 0.0659083479127826 0.14231711780079534 -1.0850831119673252 0.09376941044393933 0.0659083479127826 0.09376941044393933 -0.6062653776759027" free_energy=-9.1162908378465 pbc="T F F"
Ti       2.94057204       0.20040666       0.05646809      -1.53085157     -12.34842877      -5.32815307 
Fe       1.53502127       1.66980798       0.02184289       4.37469398      11.53153037      -6.08364474 
C       1.46325053       0.13350600       1.64618898       4.62138098      -8.03736112       6.29439885 
C       0.47410838       1.53480345       1.25867682      -7.46522340       8.85425952       5.11739895