# Details of computing
0: PECXUR.cif
1: PECXUR01.cif
2: QICRAV.cif
3: QICRAV01.cif
-------------------------------------
0
1
2
3
0
0.0000
0.0421
36.6273
36.6350
1
0.0421
0.0000
36.7091
36.7167
2
36.6273
36.7091
0.0000
0.0120
3
36.6350
36.7167
0.0120
0.0000