# Details of computing
0: BAFRAB.cif
1: PYMSBZ.cif
2: PYMSBZ11.cif
3: SULPIA10.cif
-------------------------------------
0
1
2
3
0
0.0000
79.7299
74.0160
80.0428
1
79.7299
0.0000
0.5097
78.8558
2
74.0160
0.5097
0.0000
76.3360
3
80.0428
78.8558
76.3360
0.0000