# Details of computing
0: OCATAN.cif
1: PUWSAD.cif
2: YIXTUW.cif
3: YIXTUW01.cif
-------------------------------------
0
1
2
3
0
0.0000
64.4931
2.6324
2.6247
1
64.4931
0.0000
70.3913
70.2037
2
2.6324
70.3913
0.0000
0.0249
3
2.6247
70.2037
0.0249
0.0000