# Details of computing
0: PANQAW.cif
1: PANQAW01.cif
2: TOHGAY.cif
3: TOHGAY01.cif
-------------------------------------
0
1
2
3
0
0.0000
0.0233
39.1587
39.2646
1
0.0233
0.0000
39.1403
39.3758
2
39.1587
39.1403
0.0000
0.0458
3
39.2646
39.3758
0.0458
0.0000