../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Si Ti A2B_tI24_141_h_c a c/a y2 z2 standard 1 5.8218 2.0212134 0.96688446 0.40257757 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003