../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Y A_aP1_2_a a b/a c/a alpha beta gamma standard 1 3.4592 1.005695 1.0092218 115.6738 115.2689 97.4039 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003