# Details of computing
0: JAHPUG.cif
1: JAHQER.cif
2: JAHPUG01.cif
3: JAHQER01.cif
-------------------------------------
0
1
2
3
0
0.0000
65.8027
0.0625
65.4807
1
65.8027
0.0000
58.2290
0.0651
2
0.0625
58.2290
0.0000
65.4096
3
65.4807
0.0651
65.4096
0.0000