../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Li Si A2B_hR6_166_2c_c a c/a x1 x2 x3 standard 1 4.3472231 4.2484594 0.64445444 0.20442839 0.93799989 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003