../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C A_oC8_65_gh a b/a c/a x1 x2 standard 1 7.8193 0.34531224 0.32109012 0.5860263 0.68934767 MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001