# Details of computing
0: QUBPAF.cif
1: QUBPAF01.cif
2: QUBPAF02.cif


-------------------------------------

	0	1	2
0	0.0000	39.6993	39.1026
1	39.6993	0.0000	0.6306
2	39.1026	0.6306	0.0000