element:
H
lattice type:
diamond
modelname:
MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_001

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

Optimization terminated successfully.
         Current function value: 48.813718
         Iterations: 29
         Function evaluations: 61
{'lattice_constant': 1.7737646251916885, 'cohesive_energy': -6.101714731556221, 'element': 'H', 'species': 'H" "H" "H" "H" "H" "H" "H" "H', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 29, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}