# Details of computing
0: QIYKEQ.cif
1: QIYKEQ01.cif
2: SEMSEJ.cif
3: SEMSEJ01.cif
-------------------------------------
0
1
2
3
0
0.0000
20.0079
21.8276
16.6352
1
20.0079
0.0000
22.6898
15.3503
2
21.8276
22.6898
0.0000
21.7160
3
16.6352
15.3503
21.7160
0.0000