element:
Si
lattice type:
fcc
modelname:
Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_003

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

Optimization terminated successfully.
         Current function value: -15.470863
         Iterations: 30
         Function evaluations: 60
{'lattice_constant': 3.8974825739860535, 'cohesive_energy': 3.8677158189602183, 'element': 'Si', 'species': 'Si" "Si" "Si" "Si', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 30, 'func_calls': 60, 'warnflag': 0, 'repeat': 0}