# Details of computing
0: YUBWAV.cif
1: YUBWAV01.cif
2: YUBWAV02.cif


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

	0	1	2
0	0.0000	34.8091	30.4742
1	34.8091	0.0000	22.9496
2	30.4742	22.9496	0.0000