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


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

	0	1	2
0	0.0000	0.1629	99.7349
1	0.1629	0.0000	100.4684
2	99.7349	100.4684	0.0000