element:
Cu
lattice type:
bcc
modelname:
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: -8.174810
         Iterations: 26
         Function evaluations: 52
{'lattice_constant': 2.806308835744858, 'cohesive_energy': 4.087405242237219, 'element': 'Cu', 'species': 'Cu" "Cu', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 26, 'func_calls': 52, 'warnflag': 0, 'repeat': 0}