element:
Hg
lattice type:
sc
modelname:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003

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

Optimization terminated successfully.
         Current function value: -0.248673
         Iterations: 25
         Function evaluations: 50
{'lattice_constant': 2.5132075771689415, 'cohesive_energy': 0.2486734726443248, 'element': 'Hg', 'species': 'Hg', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 25, 'func_calls': 50, 'warnflag': 0, 'repeat': 0}