../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Ti A2B_tI24_141_h_c a c/a y2 z2 standard 1 6.0231 1.4227889 0.53191384 0.23345488 MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002