#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 {} {0.663922051072 0.660588073741 0.00219930903825} Pt1 1.0 1 -1
78 {} {0.413657959497 0.911450539716 0.00110893655913} Pt2 1.0 2 -1
78 {} {0.413719635156 0.660897439664 0.001342785761} Pt3 1.0 3 -1
78 {} {0.1634962657 0.910610947318 0.00107167233986} Pt4 1.0 4 -1
78 {} {0.913214507672 0.410947861238 0.00209993483304} Pt5 1.0 5 -1
78 {} {0.913444439982 0.161482132074 0.000366182478413} Pt6 1.0 6 -1
78 {} {0.663896708728 0.411172606671 0.000995766666626} Pt7 1.0 7 -1
78 {} {0.162955811476 0.16117011377 0.000541195244301} Pt8 1.0 8 -1
78 {} {0.912800652979 0.91110766005 0.000805054255602} Pt9 1.0 9 -1
78 {} {0.912591313957 0.660828678487 0.0021570296959} Pt10 1.0 10 -1
78 {} {0.663125974209 0.911172820692 0.000924080940422} Pt11 1.0 11 -1
78 {} {0.163407078779 0.660324064884 0.00133913934031} Pt12 1.0 12 -1
78 {} {0.663093539552 0.160684659161 -0.000311515374738} Pt13 1.0 13 -1
78 {} {0.413166754187 0.410477789183 0.000143153835289} Pt14 1.0 14 -1
78 {} {0.413645784077 0.1604213862 -6.20933933163e-05} Pt15 1.0 15 -1
78 {} {0.163127342543 0.410796345968 0.001445624168} Pt16 1.0 16 -1
78 {} {0.746864918853 0.74398798687 0.081093397013} Pt17 1.0 17 -1
78 {} {0.746424515034 0.494250558707 0.0820675963939} Pt18 1.0 18 -1
78 {} {0.496943499936 0.743082149865 0.0806019380021} Pt19 1.0 19 -1
78 {} {-0.00299546798012 0.493728186843 0.0817757541561} Pt20 1.0 20 -1
78 {} {0.497238333993 -0.00606586711432 0.0800125940213} Pt21 1.0 21 -1
78 {} {0.247908144858 0.243591642705 0.0797058711176} Pt22 1.0 22 -1
78 {} {0.247260898817 -0.00658438973525 0.0797227677164} Pt23 1.0 23 -1
78 {} {-0.00334625801377 0.244669941372 0.0806039127595} Pt24 1.0 24 -1
78 {} {0.49594270503 0.493726412585 0.0796990492469} Pt25 1.0 25 -1
78 {} {0.24708788194 0.742969694074 0.0804280714627} Pt26 1.0 26 -1
78 {} {0.246813485607 0.493720355757 0.080455380837} Pt27 1.0 27 -1
78 {} {-0.00267325104233 0.742982495378 0.0804909718489} Pt28 1.0 28 -1
78 {} {0.746306948245 0.244106561858 0.0789639011303} Pt29 1.0 29 -1
78 {} {0.746439045198 -0.00645848704423 0.0796362914849} Pt30 1.0 30 -1
78 {} {0.496630947709 0.243894760139 0.0789931835315} Pt31 1.0 31 -1
78 {} {-0.00321374124965 -0.00648410469362 0.0792198334859} Pt32 1.0 32 -1
78 {} {0.330420841158 0.326491634007 0.157702255905} Pt33 1.0 33 -1
78 {} {0.0797792005352 0.576867961107 0.159098870828} Pt34 1.0 34 -1
78 {} {0.0784922623868 0.326500817195 0.159170676467} Pt35 1.0 35 -1
78 {} {0.831207757975 0.572597002851 0.160591638661} Pt36 1.0 36 -1
78 {} {0.581097090205 0.0747784881078 0.157402821565} Pt37 1.0 37 -1
78 {} {0.581191574723 0.823915834048 0.158127744728} Pt38 1.0 38 -1
78 {} {0.329757510548 0.0765651631081 0.157004177138} Pt39 1.0 39 -1
78 {} {0.830063213933 0.825125584622 0.15820703397} Pt40 1.0 40 -1
78 {} {0.580505913635 0.57606176149 0.159199899812} Pt41 1.0 41 -1
78 {} {0.579742274245 0.327146697595 0.15679374791} Pt42 1.0 42 -1
78 {} {0.328418288323 0.577126043836 0.158391095064} Pt43 1.0 43 -1
78 {} {0.830486511039 0.326147484975 0.159158538601} Pt44 1.0 44 -1
78 {} {0.330640548472 0.82548459628 0.157843990008} Pt45 1.0 45 -1
78 {} {0.0799194690948 0.0765660277606 0.156818739931} Pt46 1.0 46 -1
78 {} {0.0796709056886 0.826676758081 0.15764743141} Pt47 1.0 47 -1
78 {} {0.829730858872 0.0777651589975 0.156236034437} Pt48 1.0 48 -1
78 {} {0.412363077274 0.407458422458 0.236532014424} Pt49 1.0 49 -1
78 {} {0.412548686595 0.158472274411 0.236220811353} Pt50 1.0 50 -1
78 {} {0.161658627267 0.406098571393 0.237145206731} Pt51 1.0 51 -1
78 {} {0.662897974168 0.157428894913 0.235939514239} Pt52 1.0 52 -1
78 {} {0.15382211971 0.663478070386 0.237515764156} Pt53 1.0 53 -1
78 {} {0.90909767765 0.913513871394 0.235685406633} Pt54 1.0 54 -1
78 {} {0.912772091818 0.655694401669 0.237812306221} Pt55 1.0 55 -1
78 {} {0.661309581031 0.909914945633 0.238482906991} Pt56 1.0 56 -1
78 {} {0.164147510889 0.15759398418 0.236908611917} Pt57 1.0 57 -1
78 {} {0.912885811067 0.405208942125 0.242047928661} Pt58 1.0 58 -1
78 {} {0.912838611622 0.157657275879 0.236520512637} Pt59 1.0 59 -1
78 {} {0.663052665128 0.408704992353 0.237307258911} Pt60 1.0 60 -1
78 {} {0.409221253676 0.911139276946 0.236536319932} Pt61 1.0 61 -1
78 {} {0.413981800859 0.658415597719 0.23663179496} Pt62 1.0 62 -1
78 {} {0.162167059189 0.910715751197 0.235994419181} Pt63 1.0 63 -1
78 {} {0.661229199519 0.658362518089 0.240458356198} Pt64 1.0 64 -1
8 {} {0.488365269739 0.59690087067 0.380501846962} O1 1.0 65 -1
8 {} {0.633056724439 0.364449495287 0.344549298034} O2 1.0 66 -1
8 {} {0.397008575121 0.51720498189 0.314095208002} O3 1.0 67 -1
8 {} {0.14126653906 0.671364836916 0.311447594458} O4 1.0 68 -1
8 {} {0.766996620009 0.540347966216 0.35885523434} O5 1.0 69 -1
16 {} {0.471085787881 0.482741340666 0.364521930419} S1 1.0 70 -1
1 {} {0.682747782174 0.769690798276 0.275316095544} H1 1.0 71 -1
1 {} {0.626371149736 0.356227036245 0.311392192868} H2 1.0 72 -1
1 {} {0.106820259043 0.766047643682 0.321266186127} H3 1.0 73 -1
1 {} {0.24882866818 0.609295451262 0.316891856603} H4 1.0 74 -1
1 {} {0.718919313895 0.504401451503 0.33819173796} H5 1.0 75 -1
1 {} {0.912746905521 0.386622249039 0.296240240251} H6 1.0 76 -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} {11.0869 11.0869 29.05241 90 90 60} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0869 0 0} {5.54345 9.60153704922 0} {0 0 29.05241}} {{0.0901965382569 0 0} {-0.0520749956426 0.104149991285 0} {0 0 0.0344205523741}}
@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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