element=lattice type=modelname=Al diamond EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_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: -19.944963
         Iterations: 32
         Function evaluations: 64
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': 2.493120352229188, 'space_group': 'Fd-3m', 'element': 'Al', 'lattice_constant': 5.878823313117033, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 32, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al', 'func_calls': 64}