element=lattice type=modelname=Sm diamond EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_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: -5.804741
         Iterations: 34
         Function evaluations: 69
{'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': 2.9023705636325654, 'space_group': 'Fd-3m', 'element': 'Sm', 'lattice_constant': 7.866107690334331, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 34, 'warnflag': 0, 'species': 'Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm', 'func_calls': 69}