1# type: ignore 

2from ase.data.g2_1_ref import convert 

3from ase.data.g2_1_ref import atomization_vasp 

4from ase.data.g2_1_ref import diatomic 

5 

6info = {} 

7 

8info['atomization energy'] = {} 

9 

10info['atomization energy'].update({'reference': convert(atomization_vasp, 0)}) 

11info['atomization energy'].update({'PBE': convert(atomization_vasp, 2)}) 

12info['atomization energy'].update({'PBE0': convert(atomization_vasp, 4)}) 

13 

14info['bondlength'] = {} 

15 

16info['bondlength'].update({'reference': convert(diatomic, 0)}) 

17info['bondlength'].update({'PBE': convert(diatomic, 2)}) 

18info['bondlength'].update({'PBE0': convert(diatomic, 4)})