../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner K A_oC4_63_c a b/a c/a y1 standard 1 4.7492 1.8014613 1.4161543 0.65848443 Morse_Shifted_GirifalcoWeizer_1959MedCutoff_K__MO_202712315930_004