element=lattice type=modelname=C bcc Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_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: -6.819782
         Iterations: 30
         Function evaluations: 60
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 3.409890963394383, 'space_group': 'Im-3m', 'element': 'C', 'lattice_constant': 2.15999111533165, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 30, 'warnflag': 0, 'species': 'C" "C', 'func_calls': 60}