element=lattice type=modelname=N bcc 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: -13.675143 Iterations: 25 Function evaluations: 51 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 6.837571256172979, 'space_group': 'Im-3m', 'element': 'N', 'lattice_constant': 2.56051342189312, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 25, 'warnflag': 0, 'species': 'N" "N', 'func_calls': 51}