element=lattice type=modelname=Cu diamond EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004

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


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


Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms

Optimization terminated successfully.
         Current function value: -4.927013
         Iterations: 32
         Function evaluations: 68
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 2.4635066082004617, 'space_group': 'Fd-3m', 'element': 'Cu', 'lattice_constant': 5.3433434039354335, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 32, 'warnflag': 0, 'species': 'Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu', 'func_calls': 68}