# Details of computing
0: IBOHOW.cif
1: XOHSOC.cif
2: XOHSOC01.cif
3: XOHSUI.cif


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

	0	1	2	3
0	0.0000	83.1534	83.3495	64.5530
1	83.1534	0.0000	0.0425	96.0127
2	83.3495	0.0425	0.0000	96.5155
3	64.5530	96.0127	96.5155	0.0000