# Details of computing
0: GIFZAW.cif
1: NOVCAC.cif
2: NOVCEG.cif
3: THIAMN.cif
-------------------------------------
0
1
2
3
0
0.0000
41.7394
46.4633
31.9128
1
41.7394
0.0000
36.8314
48.6436
2
46.4633
36.8314
0.0000
27.7398
3
31.9128
48.6436
27.7398
0.0000