element=lattice type=modelname=N fcc Sim_LAMMPS_ADP_TseplyaevStarikova_2016_UN__SM_474015477315_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.191265 Iterations: 28 Function evaluations: 56 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 7.191265322787574, 'space_group': 'Fm-3m', 'element': 'N', 'lattice_constant': 3.1637520268559456, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 28, 'warnflag': 0, 'species': 'N" "N" "N" "N', 'func_calls': 56}