../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Fe Ti AB2_cF96_227_e_cf a x2 x3 standard 1 11.353 0.21223421 0.4357044 Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000