# Details of computing
0: LUPYIE.cif
1: LUPYIE01.cif
2: LUPYIE02.cif
3: PAXSUE.cif


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

	0	1	2	3
0	0.0000	0.2415	0.2323	44.6562
1	0.2415	0.0000	0.0146	45.3985
2	0.2323	0.0146	0.0000	45.4552
3	44.6562	45.3985	45.4552	0.0000