element=lattice type=modelname=Mg fcc EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Mg__MO_894868634445_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: -1.548920
         Iterations: 37
         Function evaluations: 75
{'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': 1.548919727834973, 'space_group': 'Fm-3m', 'element': 'Mg', 'lattice_constant': 4.520238071680074, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 37, 'warnflag': 0, 'species': 'Mg" "Mg" "Mg" "Mg', 'func_calls': 75}