element:
U
lattice type:
fcc
modelname:
Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000

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

Optimization terminated successfully.
         Current function value: -15.745778
         Iterations: 31
         Function evaluations: 65
{'lattice_constant': 4.247526943683624, 'cohesive_energy': 3.9364444986562543, 'element': 'U', 'species': 'U" "U" "U" "U', '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': 31, 'func_calls': 65, 'warnflag': 0, 'repeat': 0}