element=lattice type=modelname=Pt fcc EAM_Dynamo_ZhouWadleyJohnson_2001_Pt__MO_102190350384_005

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: -5.769997
         Iterations: 33
         Function evaluations: 66
{'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 5.769997374212434, 'space_group': 'Fm-3m', 'element': 'Pt', 'lattice_constant': 3.920080886781215, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 33, 'warnflag': 0, 'species': 'Pt" "Pt" "Pt" "Pt', 'func_calls': 66}