element:
H
lattice type:
sc
modelname:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003

Detected that energy at a lattice constant of 2.5 Angstroms was equal to the isolated energy (i.e. no interactions). Shrinking box until energy becomes non-trivial...


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