../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al Au AB2_oP12_62_c_2c a b/a c/a x1 z1 x2 z2 x3 z3 standard 1 6.8254 0.47604536 1.3256219 0.86916363 0.77658635 0.35146542 0.42268694 0.91104227 0.38585797 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003