element=lattice type=modelname=Xe diamond 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: -0.593779
         Iterations: 33
         Function evaluations: 68
{'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]]', 'repeat': 0, 'cohesive_energy': 0.07422238728942714, 'space_group': 'Fd-3m', 'element': 'Xe', 'lattice_constant': 6.226496040821075, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe', 'func_calls': 68}