element=lattice type=modelname=Pt fcc EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_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

Optimization terminated successfully.
         Current function value: -5.506046
         Iterations: 28
         Function evaluations: 56
{'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': 5.506045706215616, 'space_group': 'Fm-3m', 'element': 'Pt', 'lattice_constant': 3.975674135982991, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 28, 'warnflag': 0, 'species': 'Pt" "Pt" "Pt" "Pt', 'func_calls': 56}