# Details of computing
0: JECFUV.cif
1: XOTGIY.cif
2: XOTGIY01.cif


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

	0	1	2
0	0.0000	29.1940	30.0742
1	29.1940	0.0000	0.0303
2	30.0742	0.0303	0.0000