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abipy/abipy/core/irrepsdb.py

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# coding: utf-8
from __future__ import print_function, division, unicode_literals, absolute_import
_PTG_IRREPS_DB =\
{'C1': {'class_names': ['1+'],
'class_range': [(0, 1)],
'irreps': {'A': {'dim': 1, 'matrices': [[[1.0]]]}},
'nclass': 1,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]]]},
'C2': {'class_names': ['1+', '2+'],
'class_range': [(0, 1), (1, 2)],
'irreps': {'A': {'dim': 1, 'matrices': [[[1.0]], [[1.0]]]},
'B': {'dim': 1, 'matrices': [[[1.0]], [[-1.0]]]}},
'nclass': 2,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, -1]]]},
'C2h': {'class_names': ['1+', '2+', '-2-', '-2+'],
'class_range': [(0, 1), (1, 2), (2, 3), (3, 4)],
'irreps': {'Ag': {'dim': 1,
'matrices': [[[1.0]], [[1.0]], [[1.0]], [[1.0]]]},
'Au': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]]]},
'Bg': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[1.0]],
[[-1.0]]]},
'Bu': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]]]}},
'nclass': 4,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, -1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, -1]],
[[1, 0, 0], [0, -1, 0], [0, 0, 1]]]},
'C2v': {'class_names': ['1+', '2+', '-2+', '-2+'],
'class_range': [(0, 1), (1, 2), (2, 3), (3, 4)],
'irreps': {'A1': {'dim': 1,
'matrices': [[[1.0]], [[1.0]], [[1.0]], [[1.0]]]},
'A2': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]]]},
'B1': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[1.0]],
[[-1.0]]]},
'B2': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]]]}},
'nclass': 4,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, 1]]]},
'C3': {'class_names': ['1+', '3+', '3+'],
'class_range': [(0, 1), (1, 2), (2, 3)],
'irreps': {'A': {'dim': 1, 'matrices': [[[1.0]], [[1.0]], [[1.0]]]},
'E1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]]]},
'E2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]]]}},
'nclass': 3,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [1, -1, 0], [0, 0, 1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, 1]]]},
'C3h': {'class_names': ['1+', '3+', '3+', '-2+', '-6+', '-6+'],
'class_range': [(0, 1), (1, 2), (2, 3), (3, 4), (4, 5), (5, 6)],
'irreps': {"A'": {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
"A''": {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
"E''1": {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]]]},
"E''2": {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]]]},
"E'1": {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]]]},
"E'2": {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]]]}},
'nclass': 6,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [1, -1, 0], [0, 0, 1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[1, 0, 0], [0, 1, 0], [0, 0, -1]],
[[0, -1, 0], [1, -1, 0], [0, 0, -1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, -1]]]},
'C3i': {'class_names': ['1+', '3+', '3+', '-2-', '-6-', '-6-'],
'class_range': [(0, 1), (1, 2), (2, 3), (3, 4), (4, 5), (5, 6)],
'irreps': {'Ag': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'Au': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'Eg1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]]]},
'Eg2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]]]},
'Eu1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]]]},
'Eu2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]]]}},
'nclass': 6,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [1, -1, 0], [0, 0, 1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, -1]],
[[0, 1, 0], [-1, 1, 0], [0, 0, -1]],
[[1, -1, 0], [1, 0, 0], [0, 0, -1]]]},
'C3v': {'class_names': ['1+', '3+', '-2+'],
'class_range': [(0, 1), (1, 3), (3, 6)],
'irreps': {'A1': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'A2': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'E': {'dim': 2,
'matrices': [[[1.0, 0.0], [0.0, 1.0]],
[[(-0.5+0.86603j), 0j],
[0j, (-0.5-0.86603j)]],
[[(-0.5-0.86603j), 0j],
[0j, (-0.5+0.86603j)]],
[[0.0, 1.0], [1.0, 0.0]],
[[0j, (-0.5-0.86603j)],
[(-0.5+0.86603j), 0j]],
[[0j, (-0.5+0.86603j)],
[(-0.5-0.86603j), 0j]]]}},
'nclass': 3,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [1, -1, 0], [0, 0, 1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[0, -1, 0], [-1, 0, 0], [0, 0, 1]],
[[-1, 1, 0], [0, 1, 0], [0, 0, 1]],
[[1, 0, 0], [1, -1, 0], [0, 0, 1]]]},
'C4': {'class_names': ['1+', '2+', '4+', '4+'],
'class_range': [(0, 1), (1, 2), (2, 3), (3, 4)],
'irreps': {'A': {'dim': 1,
'matrices': [[[1.0]], [[1.0]], [[1.0]], [[1.0]]]},
'B': {'dim': 1,
'matrices': [[[1.0]], [[1.0]], [[-1.0]], [[-1.0]]]},
'E1': {'dim': 1,
'matrices': [[[1.0]], [[-1.0]], [[1j]], [[-1j]]]},
'E2': {'dim': 1,
'matrices': [[[1.0]], [[-1.0]], [[-1j]], [[1j]]]}},
'nclass': 4,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[0, -1, 0], [1, 0, 0], [0, 0, 1]],
[[0, 1, 0], [-1, 0, 0], [0, 0, 1]]]},
'C4h': {'class_names': ['1+', '2+', '4+', '4+', '-2-', '-2+', '-4+', '-4+'],
'class_range': [(0, 1),
(1, 2),
(2, 3),
(3, 4),
(4, 5),
(5, 6),
(6, 7),
(7, 8)],
'irreps': {'Ag': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'Au': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'Bg': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]]]},
'Bu': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]],
[[1.0]]]},
'Eg1': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[1j]],
[[-1j]],
[[1.0]],
[[-1.0]],
[[1j]],
[[-1j]]]},
'Eg2': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[-1j]],
[[1j]],
[[1.0]],
[[-1.0]],
[[-1j]],
[[1j]]]},
'Eu1': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[1j]],
[[-1j]],
[[-1.0]],
[[1.0]],
[[-1j]],
[[1j]]]},
'Eu2': {'dim': 1,
'matrices': [[[1.0]],
[[-1.0]],
[[-1j]],
[[1j]],
[[-1.0]],
[[1.0]],
[[1j]],
[[-1j]]]}},
'nclass': 8,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[0, -1, 0], [1, 0, 0], [0, 0, 1]],
[[0, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, -1]],
[[1, 0, 0], [0, 1, 0], [0, 0, -1]],
[[0, 1, 0], [-1, 0, 0], [0, 0, -1]],
[[0, -1, 0], [1, 0, 0], [0, 0, -1]]]},
'C4v': {'class_names': ['1+', '2+', '4+', '-2+', '-2+'],
'class_range': [(0, 1), (1, 2), (2, 4), (4, 6), (6, 8)],
'irreps': {'A1': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'A2': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'B1': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]]]},
'B2': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]],
[[1.0]]]},
'E': {'dim': 2,
'matrices': [[[1.0, 0.0], [0.0, 1.0]],
[[-1.0, 0.0], [0.0, -1.0]],
[[1j, 0j], [0j, (-0-1j)]],
[[(-0-1j), 0j], [0j, 1j]],
[[0.0, 1.0], [1.0, 0.0]],
[[0.0, -1.0], [-1.0, 0.0]],
[[0j, (-0-1j)], [1j, 0j]],
[[0j, 1j], [(-0-1j), 0j]]]}},
'nclass': 5,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[0, -1, 0], [1, 0, 0], [0, 0, 1]],
[[0, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [-1, 0, 0], [0, 0, 1]],
[[0, 1, 0], [1, 0, 0], [0, 0, 1]]]},
'C6': {'class_names': ['1+', '3+', '3+', '2+', '6+', '6+'],
'class_range': [(0, 1), (1, 2), (2, 3), (3, 4), (4, 5), (5, 6)],
'irreps': {'A': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'B': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'E11': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]]]},
'E12': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]]]},
'E21': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]]]},
'E22': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]]]}},
'nclass': 6,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [1, -1, 0], [0, 0, 1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[0, 1, 0], [-1, 1, 0], [0, 0, 1]],
[[1, -1, 0], [1, 0, 0], [0, 0, 1]]]},
'C6h': {'class_names': ['1+',
'3+',
'3+',
'2+',
'6+',
'6+',
'-2-',
'-6-',
'-6-',
'-2+',
'-6+',
'-6+'],
'class_range': [(0, 1),
(1, 2),
(2, 3),
(3, 4),
(4, 5),
(5, 6),
(6, 7),
(7, 8),
(8, 9),
(9, 10),
(10, 11),
(11, 12)],
'irreps': {'Ag': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'Au': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'Bg': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'Bu': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'E1g1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]]]},
'E1g2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]]]},
'E1u1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]]]},
'E1u2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]]]},
'E2g1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]]]},
'E2g2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]]]},
'E2u1': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]]]},
'E2u2': {'dim': 1,
'matrices': [[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]]]}},
'nclass': 12,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, -1, 0], [1, -1, 0], [0, 0, 1]],
[[-1, 1, 0], [-1, 0, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[0, 1, 0], [-1, 1, 0], [0, 0, 1]],
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[0.0, -1.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0]],
[[1.0, 0.0, 0.0],
[0.0, 0.0, 1.0],
[0.0, 1.0, 0.0]],
[[1.0, 0.0, 0.0],
[0.0, 0.0, -1.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, 1.0],
[0.0, 1.0, 0.0],
[1.0, 0.0, 0.0]],
[[0.0, 0.0, -1.0],
[0.0, 1.0, 0.0],
[-1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[1.0, 0.0, 0.0],
[0.0, 0.0, 1.0]],
[[0.0, -1.0, 0.0],
[-1.0, 0.0, 0.0],
[0.0, 0.0, 1.0]],
[[-1.0, 0.0, 0.0],
[0.0, 0.0, -1.0],
[0.0, 1.0, 0.0]],
[[-1.0, 0.0, 0.0],
[0.0, 0.0, 1.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, -1.0],
[0.0, -1.0, 0.0],
[1.0, 0.0, 0.0]],
[[0.0, 0.0, 1.0],
[0.0, -1.0, 0.0],
[-1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[1.0, 0.0, 0.0],
[0.0, 0.0, -1.0]],
[[0.0, 1.0, 0.0],
[-1.0, 0.0, 0.0],
[0.0, 0.0, -1.0]]]}},
'nclass': 5,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[1, 0, 0], [0, -1, 0], [0, 0, -1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, -1]],
[[0, 0, 1], [1, 0, 0], [0, 1, 0]],
[[0, 0, 1], [-1, 0, 0], [0, -1, 0]],
[[0, 0, -1], [1, 0, 0], [0, -1, 0]],
[[0, 0, -1], [-1, 0, 0], [0, 1, 0]],
[[0, 1, 0], [0, 0, 1], [1, 0, 0]],
[[0, -1, 0], [0, 0, 1], [-1, 0, 0]],
[[0, -1, 0], [0, 0, -1], [1, 0, 0]],
[[0, 1, 0], [0, 0, -1], [-1, 0, 0]],
[[0, 1, 0], [1, 0, 0], [0, 0, 1]],
[[0, -1, 0], [-1, 0, 0], [0, 0, 1]],
[[1, 0, 0], [0, 0, 1], [0, 1, 0]],
[[1, 0, 0], [0, 0, -1], [0, -1, 0]],
[[0, 0, 1], [0, 1, 0], [1, 0, 0]],
[[0, 0, -1], [0, 1, 0], [-1, 0, 0]],
[[0, -1, 0], [1, 0, 0], [0, 0, -1]],
[[0, 1, 0], [-1, 0, 0], [0, 0, -1]],
[[-1, 0, 0], [0, 0, 1], [0, -1, 0]],
[[-1, 0, 0], [0, 0, -1], [0, 1, 0]],
[[0, 0, 1], [0, -1, 0], [-1, 0, 0]],
[[0, 0, -1], [0, -1, 0], [1, 0, 0]]]},
'Th': {'class_names': ['1+', '2+', '3+', '3+', '-2-', '-2+', '-6-', '-6-'],
'class_range': [(0, 1),
(1, 4),
(4, 8),
(8, 12),
(12, 13),
(13, 16),
(16, 20),
(20, 24)],
'irreps': {'Ag': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]]]},
'Au': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]]]},
'Eg1': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]]]},
'Eg2': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]]]},
'Eu1': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[(0.5-0.86603j)]],
[[(0.5-0.86603j)]],
[[(0.5-0.86603j)]],
[[(0.5-0.86603j)]],
[[(0.5+0.86603j)]],
[[(0.5+0.86603j)]],
[[(0.5+0.86603j)]],
[[(0.5+0.86603j)]]]},
'Eu2': {'dim': 1,
'matrices': [[[1.0]],
[[1.0]],
[[1.0]],
[[1.0]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5-0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[(-0.5+0.86603j)]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[-1.0]],
[[(0.5+0.86603j)]],
[[(0.5+0.86603j)]],
[[(0.5+0.86603j)]],
[[(0.5+0.86603j)]],
[[(0.5-0.86603j)]],
[[(0.5-0.86603j)]],
[[(0.5-0.86603j)]],
[[(0.5-0.86603j)]]]},
'Tg': {'dim': 3,
'matrices': [[[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0]],
[[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0]],
[[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0]],
[[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0]],
[[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0]],
[[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0]],
[[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0]],
[[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0]],
[[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0]],
[[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0]]]},
'Tu': {'dim': 3,
'matrices': [[[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0]],
[[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0]],
[[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0]],
[[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0]],
[[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0]],
[[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0]],
[[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0]],
[[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0]],
[[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0]],
[[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0]],
[[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0],
[0.0, -1.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, -1.0],
[-1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0],
[-1.0, 0.0, 0.0]],
[[0.0, 1.0, 0.0],
[0.0, 0.0, -1.0],
[1.0, 0.0, 0.0]],
[[0.0, -1.0, 0.0],
[0.0, 0.0, 1.0],
[1.0, 0.0, 0.0]]]}},
'nclass': 8,
'rotations': [[[1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, -1]],
[[1, 0, 0], [0, -1, 0], [0, 0, -1]],
[[0, 0, 1], [1, 0, 0], [0, 1, 0]],
[[0, 0, 1], [-1, 0, 0], [0, -1, 0]],
[[0, 0, -1], [-1, 0, 0], [0, 1, 0]],
[[0, 0, -1], [1, 0, 0], [0, -1, 0]],
[[0, 1, 0], [0, 0, 1], [1, 0, 0]],
[[0, -1, 0], [0, 0, 1], [-1, 0, 0]],
[[0, 1, 0], [0, 0, -1], [-1, 0, 0]],
[[0, -1, 0], [0, 0, -1], [1, 0, 0]],
[[-1, 0, 0], [0, -1, 0], [0, 0, -1]],
[[1, 0, 0], [0, 1, 0], [0, 0, -1]],
[[1, 0, 0], [0, -1, 0], [0, 0, 1]],
[[-1, 0, 0], [0, 1, 0], [0, 0, 1]],
[[0, 0, -1], [-1, 0, 0], [0, -1, 0]],
[[0, 0, -1], [1, 0, 0], [0, 1, 0]],
[[0, 0, 1], [1, 0, 0], [0, -1, 0]],
[[0, 0, 1], [-1, 0, 0], [0, 1, 0]],
[[0, -1, 0], [0, 0, -1], [-1, 0, 0]],
[[0, 1, 0], [0, 0, -1], [1, 0, 0]],
[[0, -1, 0], [0, 0, 1], [1, 0, 0]],
[[0, 1, 0], [0, 0, 1], [-1, 0, 0]]]}}
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