# Details of computing
0: BAMHEE.cif
1: BAMHII.cif
2: JARCEL.cif
3: JARCEL01.cif
-------------------------------------
0
1
2
3
0
0.0000
84.4130
83.9936
82.2861
1
84.4130
0.0000
81.4923
89.3810
2
83.9936
81.4923
0.0000
101.8840
3
82.2861
89.3810
101.8840
0.0000