element=lattice type=modelname=N sc SW_BereSerra_2006_GaN__MO_861114678890_000

Detected that energy at a lattice constant of 2.5 Angstroms was equal to isolated energy (i.e. no interactions). Shrinking box until significant forces are present...


Attempting to perform relaxation using initial lattice constant guess of 1.25 Angstroms

Optimization terminated successfully.
         Current function value: -2.029619
         Iterations: 28
         Function evaluations: 56
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 2.029619249567149, 'space_group': 'Pm-3m', 'element': 'N', 'lattice_constant': 1.684756949543953, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 28, 'warnflag': 0, 'species': 'N', 'func_calls': 56}