# Details of computing
0: CAGPIJ.cif
1: CAGPIJ01.cif
2: CAGPOP.cif


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

	0	1	2
0	0.0000	0.0180	28.8263
1	0.0180	0.0000	28.7914
2	28.8263	28.7914	0.0000