../../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 MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_002