../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Ca Si A2BC2_hP5_164_d_a_d a c/a z2 z3 standard 1 4.1593 1.7040127 0.37009927 0.73610119 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003