element=lattice type=modelname=Pt diamond EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Pt__MO_601539325066_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


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


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


Attempting to perform relaxation using initial lattice constant guess of 4.0 Angstroms

Optimization terminated successfully.
         Current function value: -8.845029
         Iterations: 30
         Function evaluations: 62
{'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': 4.422514717410927, 'space_group': 'Fd-3m', 'element': 'Pt', 'lattice_constant': 5.446708226203924, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 30, 'warnflag': 0, 'species': 'Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt', 'func_calls': 62}