# Details of computing
0: TUHXID.cif
1: TUHXID01.cif
2: TUHXID02.cif


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

	0	1	2
0	0.0000	40.2925	0.0456
1	40.2925	0.0000	39.7876
2	0.0456	39.7876	0.0000