element=lattice type=modelname=C sc Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_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: -5.242296
         Iterations: 28
         Function evaluations: 56
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 5.2422961924354805, 'space_group': 'Pm-3m', 'element': 'C', 'lattice_constant': 1.7437533289194107, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 28, 'warnflag': 0, 'species': 'C', 'func_calls': 56}