# Details of computing
0: AJAKOL.cif
1: PUPBAD.cif
2: PUPBAD01.cif
3: PUPBAD02.cif
-------------------------------------
0
1
2
3
0
0.0000
17.7743
20.6908
17.9622
1
17.7743
0.0000
13.5809
17.7138
2
20.6908
13.5809
0.0000
10.1583
3
17.9622
17.7138
10.1583
0.0000