../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ca Zn AB2_oI12_74_e_h a b/a c/a z1 y2 z2 standard 1 4.5893 1.6054518 1.6455887 0.45065226 0.060440445 0.83554774 MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002