element=lattice type=modelname=He sc model_He_P_AbIn__MO_126942667206_001

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


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


Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 3.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 3.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 4.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 4.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 5.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 6.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 6.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 6.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 6.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 7.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 7.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 7.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 7.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 8.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 8.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 8.5 Angstroms

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 27
         Function evaluations: 80
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': -0.0, 'space_group': 'Pm-3m', 'element': 'He', 'lattice_constant': 8.5, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 27, 'warnflag': 0, 'species': 'He', 'func_calls': 80}