../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe Si AB_cP8_198_a_a a x1 x2 standard 2 4.423 0.13576725 0.84174683 4.6544 0.13501581 0.84886867 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003