# Details of computing
0: YAQNAG.cif
1: YAQNAG01.cif
2: YAQNAG02.cif
-------------------------------------
0
1
2
0
0.0000
0.3312
0.4846
1
0.3312
0.0000
0.4695
2
0.4846
0.4695
0.0000