element:
Au
lattice type:
bcc
modelname:
EAM_Dynamo_Pun_2017_Au__MO_188701096956_000

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

Optimization terminated successfully.
         Current function value: -7.752682
         Iterations: 28
         Function evaluations: 57
{'lattice_constant': 3.206937551498413, 'cohesive_energy': 3.8763408306383718, 'element': 'Au', 'species': 'Au" "Au', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 28, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}