#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 {} {0.660301364959 0.662722308151 0.000982487511488} Pt1 1.0 1 1
78 {} {0.410452235605 0.912878057811 0.0007835808304} Pt2 1.0 2 1
78 {} {0.410511396385 0.662886780391 0.00117613846655} Pt3 1.0 3 1
78 {} {0.160414598978 0.912751918211 0.00132383807519} Pt4 1.0 4 1
78 {} {0.910232812329 0.412668738226 0.00103329507311} Pt5 1.0 5 1
78 {} {0.910692980126 0.162497643424 0.00121099900038} Pt6 1.0 6 1
78 {} {0.660488697249 0.412808074258 0.00112144754568} Pt7 1.0 7 1
78 {} {0.160464225527 0.162628676378 0.000745569524388} Pt8 1.0 8 1
78 {} {0.910519311435 0.912799429291 0.0014840643303} Pt9 1.0 9 1
78 {} {0.910146713524 0.662960640801 0.000963364642592} Pt10 1.0 10 1
78 {} {0.660257114178 0.912820033259 0.00104047514149} Pt11 1.0 11 1
78 {} {0.160541795504 0.662806158514 0.00113340386541} Pt12 1.0 12 1
78 {} {0.660488729387 0.162663764917 0.00112097705662} Pt13 1.0 13 1
78 {} {0.410721346549 0.412658993805 0.0012327161819} Pt14 1.0 14 1
78 {} {0.41054885499 0.16254374066 0.00104748159809} Pt15 1.0 15 1
78 {} {0.160520644672 0.412613829118 0.000928370587163} Pt16 1.0 16 1
78 {} {0.743777906273 0.7457113271 0.0799560311789} Pt17 1.0 17 1
78 {} {0.743685387873 0.495455909487 0.0801839690194} Pt18 1.0 18 1
78 {} {0.493777931652 0.745963253812 0.0800322400535} Pt19 1.0 19 1
78 {} {-0.00625824307895 0.495663149665 0.0796170465132} Pt20 1.0 20 1
78 {} {0.493967792307 -0.00448655942013 0.0801165401521} Pt21 1.0 21 1
78 {} {0.244105836076 0.245341019154 0.0797879660313} Pt22 1.0 22 1
78 {} {0.244294935403 -0.00449173441247 0.0799676779311} Pt23 1.0 23 1
78 {} {-0.00582380959068 0.24491324727 0.0799800245492} Pt24 1.0 24 1
78 {} {0.493972648132 0.495736709607 0.0802395839824} Pt25 1.0 25 1
78 {} {0.243913766022 0.74541133876 0.0803860849197} Pt26 1.0 26 1
78 {} {0.244097600338 0.495500599674 0.0799060807687} Pt27 1.0 27 1
78 {} {-0.00572123212054 0.745411057646 0.0802578520191} Pt28 1.0 28 1
78 {} {0.744406575477 0.245160957027 0.0801431785533} Pt29 1.0 29 1
78 {} {0.74389315392 -0.00443575635708 0.0802432161643} Pt30 1.0 30 1
78 {} {0.49425009708 0.245433891712 0.0801442132271} Pt31 1.0 31 1
78 {} {-0.00527672714397 -0.00566148302294 0.0807424164343} Pt32 1.0 32 1
78 {} {0.328374746938 0.327514917797 0.157385341599} Pt33 1.0 33 1
78 {} {0.0772886832327 0.577603832268 0.156968761635} Pt34 1.0 34 1
78 {} {0.076531253724 0.327448716968 0.157057886255} Pt35 1.0 35 1
78 {} {0.827053712177 0.577712479243 0.157389443315} Pt36 1.0 36 1
78 {} {0.577871983154 0.0785315350363 0.157914052356} Pt37 1.0 37 1
78 {} {0.57761157926 0.82817994417 0.157779837739} Pt38 1.0 38 1
78 {} {0.327397286599 0.0783551813498 0.157732525317} Pt39 1.0 39 1
78 {} {0.827154555531 0.829000973245 0.157716419368} Pt40 1.0 40 1
78 {} {0.577953501405 0.57773895352 0.157883311208} Pt41 1.0 41 1
78 {} {0.579027348273 0.327833694336 0.157887407778} Pt42 1.0 42 1
78 {} {0.3278082968 0.577541648209 0.157645451618} Pt43 1.0 43 1
78 {} {0.82729484113 0.327682557169 0.158063816919} Pt44 1.0 44 1
78 {} {0.32730994745 0.828872209412 0.15768431871} Pt45 1.0 45 1
78 {} {0.0774763234409 0.0775902161661 0.157919579876} Pt46 1.0 46 1
78 {} {0.0785385045091 0.826436885194 0.159004515644} Pt47 1.0 47 1
78 {} {0.828023019815 0.0779284104793 0.15811727279} Pt48 1.0 48 1
78 {} {0.413839279213 0.40776846172 0.236399683177} Pt49 1.0 49 1
78 {} {0.411758905011 0.159559052435 0.23705932042} Pt50 1.0 50 1
78 {} {0.160511434148 0.406786477357 0.234609845789} Pt51 1.0 51 1
78 {} {0.661752103394 0.160299244956 0.237580693233} Pt52 1.0 52 1
78 {} {0.162175371735 0.658268114623 0.23686961872} Pt53 1.0 53 1
78 {} {0.910151398698 0.911253509684 0.237513795695} Pt54 1.0 54 1
78 {} {0.908403565509 0.661343239584 0.235462787491} Pt55 1.0 55 1
78 {} {0.66046382489 0.911248089412 0.237096383963} Pt56 1.0 56 1
78 {} {0.160964572499 0.159391553256 0.236937456459} Pt57 1.0 57 1
78 {} {0.910017131856 0.410459803697 0.23698813919} Pt58 1.0 58 1
78 {} {0.910931659058 0.160598158013 0.237368761318} Pt59 1.0 59 1
78 {} {0.661567457312 0.41023708255 0.238179563318} Pt60 1.0 60 1
78 {} {0.411288077206 0.9106648481 0.237049881923} Pt61 1.0 61 1
78 {} {0.411926574143 0.661350661771 0.236078880635} Pt62 1.0 62 1
78 {} {0.161322835086 0.911310610068 0.237448960486} Pt63 1.0 63 1
78 {} {0.660619421106 0.660782907245 0.237143006763} Pt64 1.0 64 1
1 {} {0.590562423511 0.347783515681 0.327907028769} H1 1.0 65 1
1 {} {0.452555023933 0.558420337565 0.307921509897} H2 1.0 66 1
1 {} {0.242055677492 0.506059137774 0.330278053162} H3 1.0 67 1
1 {} {0.110041527036 0.656159859019 0.330304474107} H4 1.0 68 1
8 {} {0.42911782224 0.588457538121 0.340555971934} O1 1.0 69 1
8 {} {0.15503950723 0.568301814582 0.312404412064} O2 1.0 70 1
8 {} {0.599596362469 0.343239255632 0.360844349077} O3 1.0 71 1
8 {} {0.341972962963 0.452104147315 0.381789047028} O4 1.0 72 1
16 {} {0.46244724572 0.478164156923 0.380807478905} 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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