../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ca O Si AB3C_oI20_74_e_eg_a a b/a c/a z2 z3 y4 standard 1 5.1015 1.4095854 1.0039792 0.50154772 0.038821765 0.98017833 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003