element:
Be
lattice type:
fcc
modelname:
MEAM_LAMMPS_WeiZhouLi_2019_BeO__MO_344044439515_000

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

Optimization terminated successfully.
         Current function value: -13.564742
         Iterations: 29
         Function evaluations: 59
{'lattice_constant': 3.229080244898796, 'cohesive_energy': 3.3911856023230165, 'element': 'Be', 'species': 'Be" "Be" "Be" "Be', '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': 29, 'func_calls': 59, 'warnflag': 0, 'repeat': 0}