../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si Ti A3B5_hP16_193_g_dg a c/a x2 x3 standard 1 7.5533 0.69480889 0.6093398 0.24980657 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003