# Details of computing
0: CEGCAS.cif
1: CEGCAS01.cif
2: CEGCAS10.cif
-------------------------------------
0
1
2
0
0.0000
0.0511
0.0000
1
0.0511
0.0000
0.0511
2
0.0000
0.0511
0.0000