../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ca Si AB_oP4_47_i_i a b/a c/a x1 x2 standard 1 35.8865 0.080484305 0.081601717 0.95381436 0.12850626 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003