element=lattice type=modelname=Mn fcc EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_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: -9.007377
         Iterations: 27
         Function evaluations: 55
{'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': 9.00737675602462, 'space_group': 'Fm-3m', 'element': 'Mn', 'lattice_constant': 3.474579539895059, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 27, 'warnflag': 0, 'species': 'Mn" "Mn" "Mn" "Mn', 'func_calls': 55}