../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ca Mg AB2_hP12_194_f_ah a c/a z2 x3 standard 1 6.2298 1.6166169 0.061878855 0.83144812 MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002