../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Ti A3B2_hR10_167_e_c a c/a x1 x2 standard 2 5.1788223 2.8147625 0.3506752 0.55220751 5.3006375 2.578478 0.34228728 0.56525194 Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000