element=lattice type=modelname=C sc Tersoff_LAMMPS_Tersoff_1989_SiC__MO_171585019474_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}