# Details of computing
0: DOQWEN.cif
1: DOQWEN01.cif
2: DOQWEN02.cif
3: DOQWUD.cif
-------------------------------------
0
1
2
3
0
0.0000
59.5168
41.2830
51.2169
1
59.5168
0.0000
25.9862
44.9225
2
41.2830
25.9862
0.0000
49.2387
3
51.2169
44.9225
49.2387
0.0000