element:
He
lattice type:
bcc
modelname:
EAM_Dynamo_ZhouBarteltSills_2021_PdHHe__MO_865505436319_000

Detected that energy at a lattice constant of 2.5 Angstroms was equal to the isolated energy (i.e. no interactions). Shrinking box until energy becomes non-trivial...


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

Optimization terminated successfully.
         Current function value: -2.816936
         Iterations: 29
         Function evaluations: 58
{'lattice_constant': 2.7563064843416214, 'cohesive_energy': 1.4084677798726741, 'element': 'He', 'species': 'He" "He', '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': 29, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}