element:
Re
lattice type:
fcc
modelname:
EAM_Dynamo_SetyawanGaoKurtz_2018_ReW__MO_680820064987_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -32.047135
         Iterations: 30
         Function evaluations: 63
{'lattice_constant': 3.897649645805359, 'cohesive_energy': 8.011783691350965, 'element': 'Re', 'species': 'Re" "Re" "Re" "Re', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 30, 'func_calls': 63, 'warnflag': 0, 'repeat': 0}