# Details of computing
0: HBTOXC.cif
1: HBTOXC01.cif
2: HBTOXC02.cif
-------------------------------------
0
1
2
0
0.0000
0.0054
0.0126
1
0.0054
0.0000
0.0137
2
0.0126
0.0137
0.0000