../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ca Si AB3_tI32_139_de_im a c/a z2 x3 x4 z4 standard 1 7.2357 1.5706013 0.17404885 0.66561473 0.31457079 0.10554489 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003