# Details of computing
0: QALHAN.cif
1: QALHAN01.cif
2: YUFLER.cif
3: YUFLER01.cif
-------------------------------------
0
1
2
3
0
0.0000
34.7445
20.7085
20.7085
1
34.7445
0.0000
21.7878
21.7878
2
20.7085
21.7878
0.0000
0.0000
3
20.7085
21.7878
0.0000
0.0000