The Diamond Structure
Diamond structure Point set for diamond structure 0.00 0.00 0.00 0.50 0.50 0.00 1.00 1.00 0.00 0.25 0.25 0.25 0.75 0.75 0.25 0.50 0.00 0.50 1.00 0.50 0.50 0.50 1.00 0.50 0.00 0.50 0.50 0.75 0.25 0.75 0.25 0.75 0.75 1.00 0.00 1.00 0.50 0.50 1.00 0.00 1.00 1.00 The path Path1: 1,4,2,5,3 Path2: 5,8,11,9,4,6,10,7,5 Path3: 14,11,13,10,12 conn1: 3,5 conn2: 5,14 diamond_Points for one diamond unit Each diamond unit has 14 vertexes, of which 4 (4#, 5#, 10#, 11# in Table 1) are inside the cube, 6 (2#, 6#, 7#, 8#, 9#, 13#) are onto each surface of the cube, and the remaining 4 (1#, 3#, 12#, 14#) are at the vertexes of the cube (Fig 1). Fig 1. One diamond unit Table 1. Point-set for one diamond unit with $a=1$. 0.00 0.00 0.00 0.50 0.50 0.00 1.00 1.00 0.00……