element=lattice type=modelname=H fcc Sim_LAMMPS_BOP_ZhouWardFoster_2015_CuH__SM_404135993060_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.929581 Iterations: 25 Function evaluations: 50 {'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': 0.9295811814390715, 'space_group': 'Fm-3m', 'element': 'H', 'lattice_constant': 2.4448257088661194, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 25, 'warnflag': 0, 'species': 'H" "H" "H" "H', 'func_calls': 50}