element=lattice type=modelname=C bcc 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: -8.677640
         Iterations: 30
         Function evaluations: 60
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 4.338820034033077, 'space_group': 'Im-3m', 'element': 'C', 'lattice_constant': 2.093466103076935, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 30, 'warnflag': 0, 'species': 'C" "C', 'func_calls': 60}