import numpy as np from cmmde_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()