element:
Al
lattice type:
bcc
modelname:
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
Exception message:
Calling "kim_model.compute" failed.



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

Optimization terminated successfully.
         Current function value: -3.126490
         Iterations: 25
         Function evaluations: 52
{'lattice_constant': 3.1655368745327, 'cohesive_energy': 1.5632451360448227, 'element': 'Al', 'species': 'Al" "Al', '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': 25, 'func_calls': 52, 'warnflag': 0, 'repeat': 0}