../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cu N AB3_tI32_88_c_df a c/a x3 y3 z3 standard 1 8.722 0.66665902 0.19639639 0.74627142 0.063003152 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003