element=lattice type=modelname=Pb fcc EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_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: -8.119997
         Iterations: 32
         Function evaluations: 65
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.029999209748011, 'space_group': 'Fm-3m', 'element': 'Pb', 'lattice_constant': 4.910130411386494, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 32, 'warnflag': 0, 'species': 'Pb" "Pb" "Pb" "Pb', 'func_calls': 65}