element:
Rb
lattice type:
diamond
modelname:
EAM_Dynamo_NicholAckland_2016v2_Rb__MO_874930365376_000

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

Optimization terminated successfully.
         Current function value: -4.417729
         Iterations: 36
         Function evaluations: 74
{'lattice_constant': 11.023257955908775, 'cohesive_energy': 0.5522161782771244, 'element': 'Rb', 'species': 'Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb', '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': 36, 'func_calls': 74, 'warnflag': 0, 'repeat': 0}