../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al N Ti ABC2_hP8_194_c_a_f a c/a z3 standard 1 3.0295 4.5587721 0.58708212 Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000