# Details of computing
0: PUXLUP.cif
1: PUXLUP01.cif
2: PUXLUP03.cif
3: PUXLUP04.cif
-------------------------------------
0
1
2
3
0
0.0000
0.1754
0.5496
23.8942
1
0.1754
0.0000
0.4616
24.1169
2
0.5496
0.4616
0.0000
24.6477
3
23.8942
24.1169
24.6477
0.0000