element=lattice type=modelname=O fcc 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: -1.792622
         Iterations: 28
         Function evaluations: 56
{'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]]', 'repeat': 0, 'cohesive_energy': 0.4481554165053175, 'space_group': 'Fm-3m', 'element': 'O', 'lattice_constant': 3.029521256685257, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 28, 'warnflag': 0, 'species': 'O" "O" "O" "O', 'func_calls': 56}