# Details of computing
0: QABZAX.cif
1: XUJPEZ.cif
2: XUJPEZ01.cif


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

	0	1	2
0	0.0000	2.7411	41.3949
1	2.7411	0.0000	43.3428
2	41.3949	43.3428	0.0000