# Details of computing
0: KIJQEA.cif
1: KIJQEA01.cif
2: KIJQEA02.cif


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

	0	1	2
0	0.0000	0.0428	112.8542
1	0.0428	0.0000	112.4705
2	112.8542	112.4705	0.0000