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from ase.data.g2_1_ref import convert
from ase.data.g2_1_ref import atomization_vasp
from ase.data.g2_1_ref import diatomic
info = {}
info['atomization energy'] = {}
info['atomization energy'].update({'reference': convert(atomization_vasp, 0)})
info['atomization energy'].update({'PBE': convert(atomization_vasp, 2)})
info['atomization energy'].update({'PBE0': convert(atomization_vasp, 4)})
info['bondlength'] = {}
info['bondlength'].update({'reference': convert(diatomic, 0)})
info['bondlength'].update({'PBE': convert(diatomic, 2)})
info['bondlength'].update({'PBE0': convert(diatomic, 4)})
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