element:
In
lattice type:
diamond
modelname:
MEAM_LAMMPS_DoShinLee_2008_In__MO_439532348190_000

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

Optimization terminated successfully.
         Current function value: -17.946240
         Iterations: 33
         Function evaluations: 66
{'lattice_constant': 6.328635580837727, 'cohesive_energy': 2.2432799621262296, 'element': 'In', 'species': 'In" "In" "In" "In" "In" "In" "In" "In', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 33, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}