element=lattice type=modelname=Ag diamond EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 2.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms

Optimization terminated successfully.
         Current function value: -15.062179
         Iterations: 32
         Function evaluations: 66
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': 1.8827723730323538, 'space_group': 'Fd-3m', 'element': 'Ag', 'lattice_constant': 6.171268951892861, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 32, 'warnflag': 0, 'species': 'Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag', 'func_calls': 66}