../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Ti A2B_oC12_65_acg_h a b/a c/a x3 x4 standard 1 12.1779 0.32459619 0.33577218 0.67226996 0.84252523 Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000