element:
H
lattice type:
bcc
modelname:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -0.757682
         Iterations: 31
         Function evaluations: 63
{'lattice_constant': 1.7812616527080536, 'cohesive_energy': 0.3788412423498321, 'element': 'H', 'species': 'H" "H', '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': 31, 'func_calls': 63, 'warnflag': 0, 'repeat': 0}