element:
Al
lattice type:
bcc
modelname:
EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002

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: -6.614032
         Iterations: 25
         Function evaluations: 53
{'lattice_constant': 3.147477221488953, 'cohesive_energy': 3.3070158735254056, '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': 53, 'warnflag': 0, 'repeat': 0}