#MD System 2.0

@Title neb0_image05

@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 {} {0.657648666723 0.660570898637 0.00272230242645} Pt1 1.0 1 1
78 {} {0.407647512418 0.910576445227 0.00272232270795} Pt2 1.0 2 1
78 {} {0.407655461707 0.660569952112 0.00272869229025} Pt3 1.0 3 1
78 {} {0.157648184612 0.910580791117 0.00272813561614} Pt4 1.0 4 1
78 {} {0.907643765283 0.410564055831 0.00272148133421} Pt5 1.0 5 1
78 {} {0.907646861795 0.160579421845 0.00271957415859} Pt6 1.0 6 1
78 {} {0.657660944311 0.410567016518 0.00272263577558} Pt7 1.0 7 1
78 {} {0.157643833566 0.160570084463 0.00271945166149} Pt8 1.0 8 1
78 {} {0.907643208783 0.910579103984 0.00272760951838} Pt9 1.0 9 1
78 {} {0.907641476027 0.660568966774 0.00272763600128} Pt10 1.0 10 1
78 {} {0.657643486494 0.910570053617 0.00272725768312} Pt11 1.0 11 1
78 {} {0.157648272791 0.660573871918 0.00272267378349} Pt12 1.0 12 1
78 {} {0.657653872751 0.160569422352 0.00272182076729} Pt13 1.0 13 1
78 {} {0.407658911452 0.410565849041 0.00272884527368} Pt14 1.0 14 1
78 {} {0.407646176922 0.160567249039 0.00272784552446} Pt15 1.0 15 1
78 {} {0.157645615115 0.410561281842 0.00272762498213} Pt16 1.0 16 1
78 {} {0.740980846161 0.743900901131 0.080717108825} Pt17 1.0 17 1
78 {} {0.740987695563 0.493889702744 0.0807158586772} Pt18 1.0 18 1
78 {} {0.490969891046 0.743919114535 0.0807133354327} Pt19 1.0 19 1
78 {} {-0.00898883227309 0.493910442942 0.0807203912782} Pt20 1.0 20 1
78 {} {0.490981762397 -0.00610625523565 0.0807198742748} Pt21 1.0 21 1
78 {} {0.241001492181 0.243908597426 0.080721014191} Pt22 1.0 22 1
78 {} {0.24099171528 -0.00610512574519 0.0807091914721} Pt23 1.0 23 1
78 {} {-0.00901115109965 0.243895684285 0.0807102307418} Pt24 1.0 24 1
78 {} {0.490933122592 0.493914066453 0.0807326482375} Pt25 1.0 25 1
78 {} {0.240974442512 0.743856175767 0.080736704602} Pt26 1.0 26 1
78 {} {0.240968246359 0.493916036262 0.080741909319} Pt27 1.0 27 1
78 {} {-0.0089768136862 0.743858815802 0.0807327075671} Pt28 1.0 28 1
78 {} {0.740972013603 0.243903470845 0.0807186049119} Pt29 1.0 29 1
78 {} {0.740979525827 -0.00611510318843 0.080716757607} Pt30 1.0 30 1
78 {} {0.490959451467 0.243906912702 0.0807231162366} Pt31 1.0 31 1
78 {} {-0.00899123724336 -0.00615140660223 0.0807267291437} Pt32 1.0 32 1
78 {} {0.324990231729 0.326748008814 0.158856433} Pt33 1.0 33 1
78 {} {0.0749945272086 0.576738407739 0.158980586373} Pt34 1.0 34 1
78 {} {0.0745739292562 0.326526250841 0.158265700355} Pt35 1.0 35 1
78 {} {0.824605925146 0.575999255144 0.158230415295} Pt36 1.0 36 1
78 {} {0.574657836393 0.0766509205586 0.158380439813} Pt37 1.0 37 1
78 {} {0.574494164765 0.826263736642 0.15838069463} Pt38 1.0 38 1
78 {} {0.324375228116 0.0765506897167 0.158319770084} Pt39 1.0 39 1
78 {} {0.824291675046 0.826635311426 0.158337365142} Pt40 1.0 40 1
78 {} {0.574585868931 0.576167182249 0.158352150168} Pt41 1.0 41 1
78 {} {0.574147638243 0.327061706223 0.158541792256} Pt42 1.0 42 1
78 {} {0.324033246814 0.576609045698 0.159202140601} Pt43 1.0 43 1
78 {} {0.824585382934 0.326168543675 0.158407577343} Pt44 1.0 44 1
78 {} {0.324476757844 0.826419239303 0.158342043064} Pt45 1.0 45 1
78 {} {0.0742063051652 0.0764938868206 0.158257917942} Pt46 1.0 46 1
78 {} {0.0749122790445 0.825730907186 0.158860025407} Pt47 1.0 47 1
78 {} {0.824535721065 0.0768958693501 0.158203362053} Pt48 1.0 48 1
78 {} {0.410472591378 0.407259155137 0.23842180234} Pt49 1.0 49 1
78 {} {0.408663418881 0.157594578482 0.237612592926} Pt50 1.0 50 1
78 {} {0.157813531197 0.407125751672 0.23751373728} Pt51 1.0 51 1
78 {} {0.65864164255 0.158169289456 0.237734604474} Pt52 1.0 52 1
78 {} {0.156795381731 0.660076430313 0.238787974073} Pt53 1.0 53 1
78 {} {0.906142809541 0.910784667237 0.237337361104} Pt54 1.0 54 1
78 {} {0.905590230982 0.659432800016 0.237207487913} Pt55 1.0 55 1
78 {} {0.65752098878 0.90905672333 0.237701202635} Pt56 1.0 56 1
78 {} {0.158221377887 0.15830852735 0.237598609154} Pt57 1.0 57 1
78 {} {0.90786451329 0.408511600006 0.237630215871} Pt58 1.0 58 1
78 {} {0.908382738123 0.158844436316 0.2378322497} Pt59 1.0 59 1
78 {} {0.659357634361 0.408584078431 0.238125529475} Pt60 1.0 60 1
78 {} {0.408311729599 0.908734269932 0.237714823014} Pt61 1.0 61 1
78 {} {0.410222866875 0.6593744771 0.237902692614} Pt62 1.0 62 1
78 {} {0.15866170887 0.910083681302 0.237575956881} Pt63 1.0 63 1
78 {} {0.658228901525 0.658764543134 0.237818201479} Pt64 1.0 64 1
1 {} {0.626764093281 0.336015288825 0.313947848538} H1 1.0 65 1
1 {} {0.462565811739 0.587124785591 0.313053576692} H2 1.0 66 1
1 {} {0.242821000995 0.542573470025 0.324474133566} H3 1.0 67 1
1 {} {0.150928284154 0.695377668949 0.324397286291} H4 1.0 68 1
8 {} {0.461834028081 0.570365208999 0.345224954213} O1 1.0 69 1
8 {} {0.151176326108 0.614108860839 0.315685848982} O2 1.0 70 1
8 {} {0.628551381313 0.3543157058 0.354820204709} O3 1.0 71 1
8 {} {0.368635582693 0.452339780097 0.347205236732} O4 1.0 72 1
16 {} {0.481420474548 0.448298182026 0.371386737201} 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} {11.0868983636 11.0868983636 29.0524132727 90 90 60.0000032727} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868983636 0 0} {5.54344863338 9.60153594873 0} {0 0 29.0524132727}} {{0.0901965515697 0 0} {-0.0520749964593 0.104150003222 0} {0 0 0.0344205484967}}
@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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