../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Li Si AB_tI32_88_f_f a c/a x1 y1 z1 x2 y2 z2 standard 1 9.4218 0.59915303 0.84606977 0.85459516 0.98732745 0.8762162 0.83000801 0.50297509 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003