element:
Sr
lattice type:
bcc
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: -2.132036
         Iterations: 31
         Function evaluations: 62
{'lattice_constant': 4.292683266103268, 'cohesive_energy': 1.066018204043105, 'element': 'Sr', 'species': 'Sr" "Sr', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 31, 'func_calls': 62, 'warnflag': 0, 'repeat': 0}