element:
Be
lattice type:
sc
modelname:
Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000

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

Optimization terminated successfully.
         Current function value: -2.267527
         Iterations: 27
         Function evaluations: 56
{'lattice_constant': 2.2034393548965454, 'cohesive_energy': 2.2675271499331897, 'element': 'Be', 'species': 'Be', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 27, 'func_calls': 56, 'warnflag': 0, 'repeat': 0}