# Details of computing
0: VALQEE01.cif
1: XEHMAY.cif
2: XEHMAY01.cif


-------------------------------------

	0	1	2
0	0.0000	0.4759	0.3985
1	0.4759	0.0000	0.0855
2	0.3985	0.0855	0.0000