# Details of computing
0: DOHREX.cif
1: DOHREX01.cif
2: DOHREX02.cif
3: DOHREX03.cif
-------------------------------------
0
1
2
3
0
0.0000
50.4235
0.0632
56.3076
1
50.4235
0.0000
50.1889
0.6261
2
0.0632
50.1889
0.0000
55.7932
3
56.3076
0.6261
55.7932
0.0000