# Details of computing
0: HBMEBZ.cif
1: HBMEBZ01.cif
2: TIWJUE.cif
-------------------------------------
0
1
2
0
0.0000
0.0857
3.0108
1
0.0857
0.0000
3.0210
2
3.0108
3.0210
0.0000