element:
Pt
lattice type:
bcc
modelname:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -11.094835
         Iterations: 28
         Function evaluations: 57
{'lattice_constant': 3.053544968366623, 'cohesive_energy': 5.547417382874228, 'element': 'Pt', 'species': 'Pt" "Pt', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 28, 'func_calls': 57, 'warnflag': 0, 'repeat': 0}