element=lattice type=modelname=H diamond EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000

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

Optimization terminated successfully.
         Current function value: -1.734519
         Iterations: 30
         Function evaluations: 61
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 0.8672593417571831, 'space_group': 'Fd-3m', 'element': 'H', 'lattice_constant': 4.966526073217395, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 30, 'warnflag': 0, 'species': 'H" "H" "H" "H" "H" "H" "H" "H', 'func_calls': 61}