# Details of computing
0: ITUTUM.cif
1: MPNPZH.cif
2: MPNPZH01.cif


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

	0	1	2
0	0.0000	76.3091	76.2782
1	76.3091	0.0000	0.0062
2	76.2782	0.0062	0.0000