element=lattice type=modelname=Be sc 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: 54
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 2.2675271499331893, 'space_group': 'Pm-3m', 'element': 'Be', 'lattice_constant': 2.2034393697977066, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 27, 'warnflag': 0, 'species': 'Be', 'func_calls': 54}