#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
78 {} {0.66246526987 0.663913846474 0.000916240951082} Pt1 1.0 1 1
78 {} {0.412498226705 0.91384621768 0.000880152596117} Pt2 1.0 2 1
78 {} {0.412521826653 0.663886582491 0.000936050700599} Pt3 1.0 3 1
78 {} {0.162503973763 0.913928381655 0.000864895133861} Pt4 1.0 4 1
78 {} {0.912500664481 0.413822011038 0.000924946185761} Pt5 1.0 5 1
78 {} {0.912488999001 0.163872043293 0.000883934944673} Pt6 1.0 6 1
78 {} {0.662520411368 0.413864659889 0.000878016436028} Pt7 1.0 7 1
78 {} {0.162462134791 0.163868755849 0.000910753762427} Pt8 1.0 8 1
78 {} {0.912467866346 0.913938478607 0.000921831944456} Pt9 1.0 9 1
78 {} {0.912452968062 0.663917332357 0.000917046573278} Pt10 1.0 10 1
78 {} {0.662482205726 0.913871008044 0.000898717353816} Pt11 1.0 11 1
78 {} {0.162492435302 0.66389424193 0.000930415899964} Pt12 1.0 12 1
78 {} {0.662562434347 0.163823974851 0.000894441514045} Pt13 1.0 13 1
78 {} {0.412548789665 0.413859607522 0.000933644852436} Pt14 1.0 14 1
78 {} {0.412536403428 0.163847865201 0.000927657286265} Pt15 1.0 15 1
78 {} {0.162506608031 0.413860225639 0.000902357869401} Pt16 1.0 16 1
78 {} {0.745884548923 0.747074274596 0.0794879515226} Pt17 1.0 17 1
78 {} {0.745903049802 0.497162468025 0.0794649801237} Pt18 1.0 18 1
78 {} {0.495870264785 0.747162932588 0.07954713256} Pt19 1.0 19 1
78 {} {-0.00388222132132 0.497136114542 0.0796084711865} Pt20 1.0 20 1
78 {} {0.49580257793 -0.00288186038579 0.0794824526345} Pt21 1.0 21 1
78 {} {0.24579607556 0.247385867797 0.0795846964911} Pt22 1.0 22 1
78 {} {0.245928424851 -0.00281914631788 0.0794363382788} Pt23 1.0 23 1
78 {} {-0.00391428211834 0.247387313374 0.0796091712081} Pt24 1.0 24 1
78 {} {0.495719579439 0.497249496484 0.0795092960573} Pt25 1.0 25 1
78 {} {0.245863274453 0.747099746926 0.0795279373793} Pt26 1.0 26 1
78 {} {0.245718797028 0.497149877764 0.0796314861903} Pt27 1.0 27 1
78 {} {-0.00395246889743 0.74684420497 0.0795395035663} Pt28 1.0 28 1
78 {} {0.745905867395 0.247138613958 0.0794765369142} Pt29 1.0 29 1
78 {} {0.745870319805 -0.00284122671895 0.0795001985141} Pt30 1.0 30 1
78 {} {0.495549472627 0.247295171332 0.0795436028421} Pt31 1.0 31 1
78 {} {-0.00402729841938 -0.00300255510886 0.0795025544645} Pt32 1.0 32 1
78 {} {0.329091518151 0.33015241529 0.157352596905} Pt33 1.0 33 1
78 {} {0.0797523990725 0.579788287776 0.157350301793} Pt34 1.0 34 1
78 {} {0.0802032201943 0.330322714845 0.157602715963} Pt35 1.0 35 1
78 {} {0.82945049494 0.579713570281 0.156927528232} Pt36 1.0 36 1
78 {} {0.579733202673 0.0800844163416 0.156920635121} Pt37 1.0 37 1
78 {} {0.579595898864 0.829821570566 0.15696077584} Pt38 1.0 38 1
78 {} {0.329577538094 0.0796848332219 0.156927416657} Pt39 1.0 39 1
78 {} {0.829544635953 0.830037929467 0.156833720848} Pt40 1.0 40 1
78 {} {0.579630524636 0.579518568614 0.157046083203} Pt41 1.0 41 1
78 {} {0.579848953898 0.329717011867 0.156812662808} Pt42 1.0 42 1
78 {} {0.329534592301 0.579913174332 0.157227469448} Pt43 1.0 43 1
78 {} {0.829670272371 0.329686023775 0.156920559579} Pt44 1.0 44 1
78 {} {0.329392013668 0.829936312002 0.156941036785} Pt45 1.0 45 1
78 {} {0.0792367978591 0.080011769163 0.156834877949} Pt46 1.0 46 1
78 {} {0.0794129441852 0.829840023611 0.157025558105} Pt47 1.0 47 1
78 {} {0.829422819195 0.0800875902602 0.157052403939} Pt48 1.0 48 1
78 {} {0.41587081043 0.411249769266 0.235820385776} Pt49 1.0 49 1
78 {} {0.414349617311 0.160717810774 0.235972940069} Pt50 1.0 50 1
78 {} {0.162672683976 0.41213861885 0.237048788134} Pt51 1.0 51 1
78 {} {0.663595069316 0.162322368639 0.236777381233} Pt52 1.0 52 1
78 {} {0.16297048051 0.664773311956 0.235823270725} Pt53 1.0 53 1
78 {} {0.912567887315 0.913137939432 0.236109278301} Pt54 1.0 54 1
78 {} {0.910948943212 0.663726910239 0.235661200167} Pt55 1.0 55 1
78 {} {0.663118798063 0.912390916577 0.23614188802} Pt56 1.0 56 1
78 {} {0.163456348742 0.161006057987 0.236032390775} Pt57 1.0 57 1
78 {} {0.91208685374 0.412393656605 0.236101025806} Pt58 1.0 58 1
78 {} {0.913351684415 0.162322992074 0.236220929368} Pt59 1.0 59 1
78 {} {0.663849104318 0.412260134874 0.23660397504} Pt60 1.0 60 1
78 {} {0.413565339935 0.911918168802 0.236187609703} Pt61 1.0 61 1
78 {} {0.414114529766 0.662718585129 0.236595244136} Pt62 1.0 62 1
78 {} {0.163513743012 0.912685197808 0.236116638747} Pt63 1.0 63 1
78 {} {0.663016579293 0.662452540433 0.23626710933} Pt64 1.0 64 1
1 {} {0.534988965539 0.357661408754 0.321745358225} H1 1.0 65 1
1 {} {0.429586793541 0.557231876802 0.312405771236} H2 1.0 66 1
1 {} {0.255940415501 0.47909856442 0.324321491183} H3 1.0 67 1
1 {} {0.108763579752 0.60336061517 0.322687332366} H4 1.0 68 1
8 {} {0.422585208635 0.475624883677 0.331476028687} O1 1.0 69 1
8 {} {0.159925701826 0.504852435885 0.314783950412} O2 1.0 70 1
8 {} {0.604866639708 0.408467622539 0.385493714241} O3 1.0 71 1
8 {} {0.292355084016 0.554137443859 0.398171674773} O4 1.0 72 1
16 {} {0.446958291593 0.442796846137 0.395506244163} S 1.0 73 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {11.0868992727 11.0868992727 29.0524114545 90 90 60.0000014545} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868992727 0 0} {5.54344939261 9.60153656011 0} {0 0 29.0524114545}} {{0.0901965441737 0 0} {-0.0520749960056 0.104149996591 0} {0 0 0.0344205506509}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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