TITLE Molecular FeS2 (Pyrite)

EDGE K 1.0
XANES 6. .05 .3
*AFOLP 1.0
*FOLP 1 1.0

POTENTIALS
*	ipot	z	tag
	0	16	S
	1	16	S
	2	26	Fe

ATOMS
*x		y		z		ipot
2.08918262	2.07564112	2.0799744	0
0.62236734	3.31170924	4.79152436	1
4.79585764	0.62670062	3.32741738	1
3.33283398	4.8018159	0.61803406	1
3.33175066	3.32145912	3.32416742	1
4.79585764	2.06805788	0.62236734	1
0.62128402	4.79694096	2.08051606	1
2.08918262	0.62886726	4.78935772	1
0.0054166	0.0108332	0.0162498	2
2.68988356	0.00054166	2.72779976	2
2.70884166	2.7191332	0.00595826	2
5.41335004	2.71534158	2.72888308	2

END