element=lattice type=modelname=C sc Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_002

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: -4.421157
         Iterations: 28
         Function evaluations: 56
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 4.421157152659818, 'space_group': 'Pm-3m', 'element': 'C', 'lattice_constant': 1.802028313279152, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 28, 'warnflag': 0, 'species': 'C', 'func_calls': 56}