../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ca Si A5B3_tI32_140_cl_ah a c/a x3 x4 z4 standard 1 7.6355 1.9327222 0.6125827 0.82061071 0.14040485 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003