element=lattice type=modelname=Al bcc EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000

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: -3.373245
         Iterations: 25
         Function evaluations: 52
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 3.3732451360448477, 'space_group': 'Im-3m', 'element': 'Al', 'lattice_constant': 3.16553692817688, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 25, 'warnflag': 0, 'species': 'Al" "Al', 'func_calls': 52}