element:
Al
lattice type:
sc
modelname:
MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_000

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

Optimization terminated successfully.
         Current function value: -3.234567
         Iterations: 25
         Function evaluations: 50
{'lattice_constant': 2.601115271449089, 'cohesive_energy': 3.2345668049142002, 'element': 'Al', 'species': 'Al', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 25, 'func_calls': 50, 'warnflag': 0, 'repeat': 0}