../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ba A_oC4_63_c a b/a c/a y1 standard 1 4.4098 1.7736859 1.6607102 0.65596998 Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ba__MO_676977998912_004