../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti A2B_tI12_141_e_a a c/a z2 standard 1 3.8632 2.5169549 0.082162856 Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000