#MD System 2.0

@Title neb0_image04

@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 {} {0.659886694477 0.662138750337 0.0017390659774} Pt1 1.0 1 1
78 {} {0.409890092027 0.912160343484 0.00171822950458} Pt2 1.0 2 1
78 {} {0.409946844488 0.662116547982 0.00177357393414} Pt3 1.0 3 1
78 {} {0.159916835706 0.912181381655 0.0017585989969} Pt4 1.0 4 1
78 {} {0.909886584682 0.412094024921 0.00175452378501} Pt5 1.0 5 1
78 {} {0.909892714394 0.162142926001 0.00172425166745} Pt6 1.0 6 1
78 {} {0.659962016838 0.412113399316 0.00172858331364} Pt7 1.0 7 1
78 {} {0.159879230757 0.162098442011 0.00171073178522} Pt8 1.0 8 1
78 {} {0.909880353842 0.912174285632 0.00177596857531} Pt9 1.0 9 1
78 {} {0.909864594545 0.662137662221 0.00175840072203} Pt10 1.0 10 1
78 {} {0.659863603589 0.912131908578 0.00176107617162} Pt11 1.0 11 1
78 {} {0.159913075483 0.662119356975 0.00174153135319} Pt12 1.0 12 1
78 {} {0.659944477828 0.162112109693 0.00173159510077} Pt13 1.0 13 1
78 {} {0.409950542561 0.412100146064 0.00178132434281} Pt14 1.0 14 1
78 {} {0.409918736024 0.162109166109 0.00176481877816} Pt15 1.0 15 1
78 {} {0.159905890752 0.41209138114 0.00176312208778} Pt16 1.0 16 1
78 {} {0.743255653894 0.745393935681 0.0802507006381} Pt17 1.0 17 1
78 {} {0.743259218856 0.495399347014 0.0802611648508} Pt18 1.0 18 1
78 {} {0.493184958131 0.745521942121 0.0802643173626} Pt19 1.0 19 1
78 {} {-0.00656393091196 0.49544536856 0.080298275688} Pt20 1.0 20 1
78 {} {0.493223321183 -0.00462965018484 0.0802698769736} Pt21 1.0 21 1
78 {} {0.243278385699 0.24548154724 0.0802854134724} Pt22 1.0 22 1
78 {} {0.243334047023 -0.00460969114775 0.080213105339} Pt23 1.0 23 1
78 {} {-0.00659219473787 0.245459207353 0.0802700174551} Pt24 1.0 24 1
78 {} {0.493007004103 0.495561076474 0.0803240642794} Pt25 1.0 25 1
78 {} {0.24321043193 0.745237813587 0.0803318642647} Pt26 1.0 26 1
78 {} {0.243148151261 0.495491616667 0.0804133603514} Pt27 1.0 27 1
78 {} {-0.00650256679177 0.745119028567 0.0803417353583} Pt28 1.0 28 1
78 {} {0.743253659787 0.245421622832 0.0802420707208} Pt29 1.0 29 1
78 {} {0.743272160198 -0.00466211638673 0.080265112318} Pt30 1.0 30 1
78 {} {0.493042388295 0.245478326742 0.0802978015722} Pt31 1.0 31 1
78 {} {-0.00654236038587 -0.00495136426907 0.0803385402471} Pt32 1.0 32 1
78 {} {0.326914576324 0.328352418495 0.158166846482} Pt33 1.0 33 1
78 {} {0.0770949463085 0.577962911206 0.158092550777} Pt34 1.0 34 1
78 {} {0.0770398352548 0.328243583229 0.157886963924} Pt35 1.0 35 1
78 {} {0.826880344844 0.577729026778 0.157644479168} Pt36 1.0 36 1
78 {} {0.577055155865 0.078300754721 0.157731136663} Pt37 1.0 37 1
78 {} {0.576866974074 0.827892850008 0.157746028613} Pt38 1.0 38 1
78 {} {0.326799419463 0.0780140001705 0.157688062792} Pt39 1.0 39 1
78 {} {0.826731274423 0.828242127971 0.157675479929} Pt40 1.0 40 1
78 {} {0.577018607262 0.577592594402 0.157802425029} Pt41 1.0 41 1
78 {} {0.576934800834 0.328258201322 0.157764116726} Pt42 1.0 42 1
78 {} {0.326558600556 0.578240388167 0.158268229301} Pt43 1.0 43 1
78 {} {0.826823470361 0.327909825158 0.157795232575} Pt44 1.0 44 1
78 {} {0.326764837939 0.828117356041 0.15771076689} Pt45 1.0 45 1
78 {} {0.0765395947753 0.0781610293315 0.157626257619} Pt46 1.0 46 1
78 {} {0.0773442826833 0.827179733806 0.158247848719} Pt47 1.0 47 1
78 {} {0.826779281256 0.0783953868706 0.157692968989} Pt48 1.0 48 1
78 {} {0.413068393348 0.408970907699 0.237305519794} Pt49 1.0 49 1
78 {} {0.41121218497 0.159259452668 0.236839827636} Pt50 1.0 50 1
78 {} {0.160361467227 0.408491463506 0.236891904571} Pt51 1.0 51 1
78 {} {0.660780326066 0.16033763461 0.237445506453} Pt52 1.0 52 1
78 {} {0.159825889252 0.661043499565 0.237571007773} Pt53 1.0 53 1
78 {} {0.909134461351 0.911878521985 0.236804661772} Pt54 1.0 54 1
78 {} {0.908066059847 0.661360315219 0.236419637896} Pt55 1.0 55 1
78 {} {0.66009808304 0.910653906345 0.23695728807} Pt56 1.0 56 1
78 {} {0.160650426561 0.159725811163 0.236859395873} Pt57 1.0 57 1
78 {} {0.909953331521 0.41028503711 0.236909360421} Pt58 1.0 58 1
78 {} {0.910726593358 0.160433908089 0.237042460136} Pt59 1.0 59 1
78 {} {0.661024282124 0.410002280395 0.237904133083} Pt60 1.0 60 1
78 {} {0.41077246962 0.910192036853 0.23699554167} Pt61 1.0 61 1
78 {} {0.411892165625 0.66109789439 0.237077570158} Pt62 1.0 62 1
78 {} {0.16090969256 0.91133752163 0.236920074301} Pt63 1.0 63 1
78 {} {0.66044148935 0.66047907646 0.237067404828} Pt64 1.0 64 1
1 {} {0.593241889674 0.341870340979 0.320336122484} H1 1.0 65 1
1 {} {0.450409399937 0.571302438546 0.30656299595} H2 1.0 66 1
1 {} {0.252215204931 0.509008344554 0.325260395213} H3 1.0 67 1
1 {} {0.129729196518 0.656833887434 0.324390262199} H4 1.0 68 1
8 {} {0.441475390979 0.56423203368 0.344565608382} O1 1.0 69 1
8 {} {0.148587438109 0.567833035764 0.312723932277} O2 1.0 70 1
8 {} {0.625434344582 0.352277518504 0.364345243223} O3 1.0 71 1
8 {} {0.323379484763 0.474806554756 0.373793644803} O4 1.0 72 1
16 {} {0.46185790307 0.463833960172 0.382599665006} 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} {11.0868987273 11.0868987273 29.0524125455 90 90 60.0000025455} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868987273 0 0} {5.54344893707 9.60153619328 0} {0 0 29.0524125455}} {{0.0901965486108 0 0} {-0.0520749962776 0.10415000057 0} {0 0 0.0344205493583}}
@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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