element=lattice type=modelname=Cu diamond EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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: -19.355194
         Iterations: 31
         Function evaluations: 64
{'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': 2.419399306912304, 'space_group': 'Fd-3m', 'element': 'Cu', 'lattice_constant': 5.354472255706794, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 31, 'warnflag': 0, 'species': 'Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu', 'func_calls': 64}