element:
Al
lattice type:
fcc
modelname:
EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_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: -14.320009
         Iterations: 36
         Function evaluations: 74
{'lattice_constant': 4.050199627876282, 'cohesive_energy': 3.580002264562824, 'element': 'Al', 'species': 'Al" "Al" "Al" "Al', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', '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]]', 'iterations': 36, 'func_calls': 74, 'warnflag': 0, 'repeat': 0}