element:
F
lattice type:
diamond
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: -39.918055
         Iterations: 25
         Function evaluations: 50
{'lattice_constant': 2.5350584387779236, 'cohesive_energy': 4.989756922902277, 'element': 'F', 'species': 'F" "F" "F" "F" "F" "F" "F" "F', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 25, 'func_calls': 50, 'warnflag': 0, 'repeat': 0}