element=lattice type=modelname=Mg diamond EAM_Dynamo_LiuOhotnickyAdams_1997_AlMg__MO_559870613549_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


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


Attempting to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.5 Angstroms

Optimization terminated successfully.
         Current function value: -1.721044
         Iterations: 29
         Function evaluations: 60
{'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': 0.860521982381405, 'space_group': 'Fd-3m', 'element': 'Mg', 'lattice_constant': 6.740082265436653, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 29, 'warnflag': 0, 'species': 'Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg', 'func_calls': 60}