../../td/EquilibriumCrystalStructure__TD_457028483760_001/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 MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002