element=lattice type=modelname=Mg diamond EAM_Dynamo_ZhouJohnsonWadley_2004_Mg__MO_137404467969_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: -2.020639
         Iterations: 33
         Function evaluations: 67
{'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': 1.0103193642905075, 'space_group': 'Fd-3m', 'element': 'Mg', 'lattice_constant': 6.7907486945390705, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg', 'func_calls': 67}