/usr/share/pyshared/ase/cluster/compounds.py is in python-ase 3.6.0.2515-1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 | import numpy as np
from ase.cluster.cubic import SimpleCubicFactory
# The L1_2 structure is "based on FCC", but is really simple cubic
# with a basis.
class AuCu3Factory(SimpleCubicFactory):
"A factory for creating AuCu3 (L1_2) lattices."
atomic_basis = np.array([[0., 0., 0.],
[0., .5, .5],
[.5, 0., .5],
[.5, .5, 0.]])
element_basis = [0, 1, 1, 1]
AuCu3 = L1_2 = AuCu3Factory()
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