element=lattice type=modelname=H sc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003

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: -24.519585
         Iterations: 29
         Function evaluations: 58
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 24.51958499445863, 'space_group': 'Pm-3m', 'element': 'H', 'lattice_constant': 0.5902234315872192, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 29, 'warnflag': 0, 'species': 'H', 'func_calls': 58}