../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ca Zn AB_oC8_63_c_c a b/a c/a y1 y2 standard 1 4.2776 2.6513699 1.0319104 0.14580453 0.43576152 MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002