../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ca Zn AB2_hP12_194_f_ah a c/a z2 x3 standard 1 5.614 1.5817955 0.55907083 0.16614566 MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_002