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=-6.936039941383966 stress="-1.5114316527413103 -0.2522548630352572 0.16165313640527532 -0.2522548630352572 -1.5225783295464992 -0.07496798685984536 0.16165313640527532 -0.07496798685984536 -0.698350386284264" free_energy=-6.936039941383966 pbc="T T F" Fe 2.76010779 2.99582161 0.05323817 -1.83916940 10.43729134 0.10456943 Ti 1.22754451 1.73715536 0.02704010 4.26957374 -12.24294049 -12.48689241 C 1.28209294 2.84786635 1.48688953 3.03458628 8.10165919 6.86067009 C 0.20470050 1.52713195 1.62749873 -5.46499062 -6.29601005 5.52165288