1import numpy as np 2 3from ase.cluster.cubic import SimpleCubicFactory 4 5 6# The L1_2 structure is "based on FCC", but is really simple cubic 7# with a basis. 8class AuCu3Factory(SimpleCubicFactory): 9 "A factory for creating AuCu3 (L1_2) lattices." 10 11 atomic_basis = np.array([[0., 0., 0.], 12 [0., .5, .5], 13 [.5, 0., .5], 14 [.5, .5, 0.]]) 15 16 element_basis = [0, 1, 1, 1] 17 18 19AuCu3 = L1_2 = AuCu3Factory() 20