# Details of computing
0: QIMCAS.cif
1: QIMCAS01.cif
2: QIMCAS02.cif
-------------------------------------
0
1
2
0
0.0000
32.7576
0.0217
1
32.7576
0.0000
35.3921
2
0.0217
35.3921
0.0000