# Details of computing
0: PIYQEU.cif
1: PIYQEU01.cif
2: PIYQEU02.cif


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

	0	1	2
0	0.0000	0.0915	5.0007
1	0.0915	0.0000	4.5207
2	5.0007	4.5207	0.0000