element=lattice type=modelname=He fcc EAM_Dynamo_BonnyTerentyev_2014EAM1_W__MO_292520929154_000

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

* Error (Neighbor List) : "Cannot invert cell matrix. Determinant is 0." : 92:kimpy/neighlist/helper.hpp

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

* Error (Neighbor List) : "Cannot invert cell matrix. Determinant is 0." : 92:kimpy/neighlist/helper.hpp

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

* Error (Neighbor List) : "Cannot invert cell matrix. Determinant is 0." : 92:kimpy/neighlist/helper.hpp

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

* Error (Neighbor List) : "Cannot invert cell matrix. Determinant is 0." : 92:kimpy/neighlist/helper.hpp

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

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 26
         Function evaluations: 77
{'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': -0.0, 'space_group': 'Fm-3m', 'element': 'He', 'lattice_constant': 4.5, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 26, 'warnflag': 0, 'species': 'He" "He" "He" "He', 'func_calls': 77}