#MD System 2.0

@Title neb0_image03

@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 {} {0.660829960471 0.663035176987 0.000903940688777} Pt1 1.0 1 1
78 {} {0.411045301855 0.912987631451 0.00069539901639} Pt2 1.0 2 1
78 {} {0.411079992023 0.663121947879 0.000994982352326} Pt3 1.0 3 1
78 {} {0.160955168784 0.913012840849 0.000987029073845} Pt4 1.0 4 1
78 {} {0.910958446296 0.412962106525 0.00101280117469} Pt5 1.0 5 1
78 {} {0.911191838807 0.162845551402 0.00118665044166} Pt6 1.0 6 1
78 {} {0.661006148574 0.413035220697 0.000981580482553} Pt7 1.0 7 1
78 {} {0.161042416783 0.163105971309 0.000916994357696} Pt8 1.0 8 1
78 {} {0.910984572731 0.913033957846 0.00117015364278} Pt9 1.0 9 1
78 {} {0.910747211712 0.663086311897 0.000873270593363} Pt10 1.0 10 1
78 {} {0.660880856506 0.913002035917 0.000909347198788} Pt11 1.0 11 1
78 {} {0.161064122602 0.663039113902 0.000932969452798} Pt12 1.0 12 1
78 {} {0.661029106332 0.162898159998 0.0010558825003} Pt13 1.0 13 1
78 {} {0.411203804253 0.412873983644 0.00102880446827} Pt14 1.0 14 1
78 {} {0.410991972435 0.16285152152 0.000997542742107} Pt15 1.0 15 1
78 {} {0.161036475732 0.41284209643 0.000913274508667} Pt16 1.0 16 1
78 {} {0.744371713547 0.745992741438 0.0798632728634} Pt17 1.0 17 1
78 {} {0.744469489062 0.49583945855 0.0799590746971} Pt18 1.0 18 1
78 {} {0.494607726415 0.746071146647 0.0799391869881} Pt19 1.0 19 1
78 {} {-0.00547548145842 0.495895699989 0.079794245529} Pt20 1.0 20 1
78 {} {0.494589603706 -0.00404066497334 0.0799582777072} Pt21 1.0 21 1
78 {} {0.244848345483 0.246110559802 0.080078002397} Pt22 1.0 22 1
78 {} {0.244684647551 -0.00384150593149 0.0797302368293} Pt23 1.0 23 1
78 {} {-0.00515629454772 0.246060027985 0.080124144187} Pt24 1.0 24 1
78 {} {0.494734274924 0.495762312308 0.0799786860482} Pt25 1.0 25 1
78 {} {0.244593060107 0.745841891723 0.0799007852589} Pt26 1.0 26 1
78 {} {0.244623034254 0.495780251702 0.0797022959676} Pt27 1.0 27 1
78 {} {-0.00544007049697 0.745810736818 0.0798601155052} Pt28 1.0 28 1
78 {} {0.744587382954 0.245921399814 0.0800767905728} Pt29 1.0 29 1
78 {} {0.744325585159 -0.00384903645287 0.0800954981661} Pt30 1.0 30 1
78 {} {0.494618240962 0.245943174262 0.0800873660086} Pt31 1.0 31 1
78 {} {-0.00530741519777 -0.00432999628913 0.0802762657131} Pt32 1.0 32 1
78 {} {0.328397158298 0.328463837261 0.15748780139} Pt33 1.0 33 1
78 {} {0.0777300350274 0.578763144101 0.15689997206} Pt34 1.0 34 1
78 {} {0.0779648616468 0.32854080081 0.157722050018} Pt35 1.0 35 1
78 {} {0.827638499182 0.578474612978 0.157413053706} Pt36 1.0 36 1
78 {} {0.578136356896 0.0790324432489 0.157896596387} Pt37 1.0 37 1
78 {} {0.578130882841 0.828779646995 0.157666869441} Pt38 1.0 38 1
78 {} {0.328172381934 0.0787470127286 0.157670750173} Pt39 1.0 39 1
78 {} {0.827684287025 0.829589675599 0.157470877178} Pt40 1.0 40 1
78 {} {0.578736874821 0.578219698003 0.157575289396} Pt41 1.0 41 1
78 {} {0.579471284579 0.327988954718 0.157626018117} Pt42 1.0 42 1
78 {} {0.328587497329 0.578777403474 0.156960646718} Pt43 1.0 43 1
78 {} {0.828641313787 0.32817128887 0.157716181267} Pt44 1.0 44 1
78 {} {0.327479794257 0.830159861186 0.157181260781} Pt45 1.0 45 1
78 {} {0.0779995505711 0.0789212679406 0.157749675305} Pt46 1.0 46 1
78 {} {0.0779635119517 0.829191131435 0.15772842139} Pt47 1.0 47 1
78 {} {0.828121797721 0.07891431791 0.157972769217} Pt48 1.0 48 1
78 {} {0.412495287426 0.409967945103 0.23484560758} Pt49 1.0 49 1
78 {} {0.412046496118 0.160374839969 0.237030622106} Pt50 1.0 50 1
78 {} {0.16007237124 0.410796866947 0.235591610215} Pt51 1.0 51 1
78 {} {0.662266678075 0.160943288034 0.237320283123} Pt52 1.0 52 1
78 {} {0.161453234394 0.662910907168 0.234882248675} Pt53 1.0 53 1
78 {} {0.910989675993 0.912084206412 0.237131355018} Pt54 1.0 54 1
78 {} {0.909020067109 0.662853266492 0.235517002684} Pt55 1.0 55 1
78 {} {0.661147910128 0.91192514637 0.236933302603} Pt56 1.0 56 1
78 {} {0.161599940181 0.160827555088 0.236914887333} Pt57 1.0 57 1
78 {} {0.910902530532 0.411501416449 0.236953091224} Pt58 1.0 58 1
78 {} {0.911755319212 0.161294310727 0.237106611607} Pt59 1.0 59 1
78 {} {0.663629999744 0.410780960789 0.236502559841} Pt60 1.0 60 1
78 {} {0.411711701608 0.912127482768 0.236901449094} Pt61 1.0 61 1
78 {} {0.412145610085 0.664861873281 0.235278363342} Pt62 1.0 62 1
78 {} {0.161605458371 0.912508721024 0.237017221969} Pt63 1.0 63 1
78 {} {0.661577361576 0.66148513099 0.23704083533} Pt64 1.0 64 1
1 {} {0.540135231935 0.405316338392 0.33176884057} H1 1.0 65 1
1 {} {0.457264311882 0.5727241634 0.304851949076} H2 1.0 66 1
1 {} {0.251579616738 0.497425559948 0.326864274172} H3 1.0 67 1
1 {} {0.109207030252 0.637085710793 0.325378289582} H4 1.0 68 1
8 {} {0.443667665989 0.496330068804 0.31885413325} O1 1.0 69 1
8 {} {0.155652562834 0.5384785784 0.316678332461} O2 1.0 70 1
8 {} {0.589431113592 0.346297886828 0.374045993673} O3 1.0 71 1
8 {} {0.343090722922 0.465879922949 0.399761860934} O4 1.0 72 1
16 {} {0.461138965452 0.486100362932 0.388887548346} 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} {11.0868990909 11.0868990909 29.0524118182 90 90 60.0000018182} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868990909 0 0} {5.54344924077 9.60153643783 0} {0 0 29.0524118182}} {{0.0901965456528 0 0} {-0.0520749960963 0.104149997917 0} {0 0 0.03442055022}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@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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