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=0.23241607352335558 stress="-1.0091703396835996 0.23067608721723581 0.33006994275899504 0.23067608721723581 -2.534704252685124 0.8162265138842602 0.33006994275899504 0.8162265138842602 -2.23268703133567" free_energy=0.23241607352335558 pbc="F F T" C 0.23811607 0.01556730 2.78907838 -2.43964127 -15.21532247 3.99512742 Ti 1.29312023 1.69449984 0.28380155 9.28036938 33.22834525 -17.76113269 Fe 1.30656208 0.29600682 1.20116975 14.21374937 -36.74884075 9.61554724 C 0.13029344 1.24074451 1.60099898 -21.05447748 18.73581797 4.15045803