# Details of computing
0: TPCLFE.cif
1: TPCLFE01.cif
2: YUJBIO.cif


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

	0	1	2
0	0.0000	0.2099	28.0326
1	0.2099	0.0000	27.9815
2	28.0326	27.9815	0.0000