../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Au AB4_cP20_198_a_ab a x1 x2 x3 y3 z3 standard 1 7.0081 0.6867471 0.066527384 0.13602861 0.19842063 0.46440369 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003