../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si Ti A2B_oF24_70_e_a a b/a c/a x2 standard 1 8.3747 0.58077304 1.0323594 0.46501082 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003