#MD System 2.0

@Title neb0_image02

@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 {} {0.661855004057 0.663707229538 0.000660181044297} Pt1 1.0 1 1
78 {} {0.412016916546 0.91351404547 0.00051336693636} Pt2 1.0 2 1
78 {} {0.41203325723 0.66369061839 0.000740605238994} Pt3 1.0 3 1
78 {} {0.161985569708 0.913655822062 0.000585904951454} Pt4 1.0 4 1
78 {} {0.912123951304 0.41345183536 0.000732158511934} Pt5 1.0 5 1
78 {} {0.912070208908 0.163572944922 0.000711594281259} Pt6 1.0 6 1
78 {} {0.662036409728 0.413606458134 0.000619214924803} Pt7 1.0 7 1
78 {} {0.161897895432 0.163779134511 0.000679158692379} Pt8 1.0 8 1
78 {} {0.911973116608 0.913674326195 0.00073385219654} Pt9 1.0 9 1
78 {} {0.911857130226 0.6636551437 0.000689707475172} Pt10 1.0 10 1
78 {} {0.66196306349 0.913556695064 0.000633270816472} Pt11 1.0 11 1
78 {} {0.162012610267 0.663658782713 0.000746974000086} Pt12 1.0 12 1
78 {} {0.662114131563 0.163473112466 0.000684999148689} Pt13 1.0 13 1
78 {} {0.412072729221 0.413562428532 0.000729757003018} Pt14 1.0 14 1
78 {} {0.411995633274 0.16352688616 0.000743117743946} Pt15 1.0 15 1
78 {} {0.16198294083 0.413533699789 0.000696926762862} Pt16 1.0 16 1
78 {} {0.745450309802 0.746589573131 0.0796932759337} Pt17 1.0 17 1
78 {} {0.745566565576 0.496672670858 0.0796557777877} Pt18 1.0 18 1
78 {} {0.495448675143 0.746763048946 0.079836449604} Pt19 1.0 19 1
78 {} {-0.00416585927824 0.49657510268 0.0798716273239} Pt20 1.0 20 1
78 {} {0.495370864836 -0.0032919123004 0.0796883605418} Pt21 1.0 21 1
78 {} {0.245508183064 0.247191359878 0.0800237722375} Pt22 1.0 22 1
78 {} {0.245491792457 -0.00302514079277 0.0795175802843} Pt23 1.0 23 1
78 {} {-0.00396204979892 0.247183960838 0.0800228439341} Pt24 1.0 24 1
78 {} {0.495297167155 0.496776730816 0.0797583355877} Pt25 1.0 25 1
78 {} {0.245584764669 0.746603214767 0.0797727719894} Pt26 1.0 26 1
78 {} {0.245416475445 0.496651282069 0.0797898125595} Pt27 1.0 27 1
78 {} {-0.00436562858363 0.746309584912 0.0796887325043} Pt28 1.0 28 1
78 {} {0.745496892915 0.246797804151 0.0797487792699} Pt29 1.0 29 1
78 {} {0.745347466423 -0.00319221985025 0.0797732736868} Pt30 1.0 30 1
78 {} {0.494974827639 0.246973350861 0.0797925945782} Pt31 1.0 31 1
78 {} {-0.00433778283442 -0.00344911771312 0.0797823692196} Pt32 1.0 32 1
78 {} {0.329080426173 0.32985196697 0.157750799514} Pt33 1.0 33 1
78 {} {0.0789591282949 0.579743673569 0.157245790006} Pt34 1.0 34 1
78 {} {0.079920071016 0.329895895968 0.158179560413} Pt35 1.0 35 1
78 {} {0.828772546359 0.579233971724 0.157255164117} Pt36 1.0 36 1
78 {} {0.579182499459 0.0798427695285 0.157504835138} Pt37 1.0 37 1
78 {} {0.5790740773 0.829581628117 0.157350862265} Pt38 1.0 38 1
78 {} {0.329163108673 0.0792940660068 0.157367069619} Pt39 1.0 39 1
78 {} {0.828860191747 0.830113038368 0.157162682276} Pt40 1.0 40 1
78 {} {0.579122730378 0.579122988265 0.157576541106} Pt41 1.0 41 1
78 {} {0.579684936252 0.329014267201 0.157277612571} Pt42 1.0 42 1
78 {} {0.32969785418 0.579578504102 0.157244984909} Pt43 1.0 43 1
78 {} {0.829337131781 0.329315370254 0.157356702194} Pt44 1.0 44 1
78 {} {0.328863148886 0.829703117439 0.157326977902} Pt45 1.0 45 1
78 {} {0.0789038487592 0.0797790207386 0.157319238095} Pt46 1.0 46 1
78 {} {0.078737187361 0.830150754408 0.157205690696} Pt47 1.0 47 1
78 {} {0.828856267812 0.0798906851676 0.15752287235} Pt48 1.0 48 1
78 {} {0.413909441479 0.411113442844 0.235017233341} Pt49 1.0 49 1
78 {} {0.413278465265 0.160813998869 0.236391086468} Pt50 1.0 50 1
78 {} {0.160849743775 0.413680345327 0.236792191087} Pt51 1.0 51 1
78 {} {0.663419774768 0.16172283377 0.237109202931} Pt52 1.0 52 1
78 {} {0.16244619741 0.66530588719 0.234815166542} Pt53 1.0 53 1
78 {} {0.912076312179 0.912909567996 0.236488118938} Pt54 1.0 54 1
78 {} {0.910244332599 0.663796902556 0.235435998747} Pt55 1.0 55 1
78 {} {0.662416296283 0.912472300441 0.236357514106} Pt56 1.0 56 1
78 {} {0.162970048094 0.161190662062 0.236431283114} Pt57 1.0 57 1
78 {} {0.91172674235 0.412221419697 0.236454050499} Pt58 1.0 58 1
78 {} {0.912735936152 0.162093772455 0.236421667004} Pt59 1.0 59 1
78 {} {0.66415043703 0.411936173712 0.236594685088} Pt60 1.0 60 1
78 {} {0.412902301405 0.911712322719 0.236379372286} Pt61 1.0 61 1
78 {} {0.413659696863 0.663353908545 0.23688538813} Pt62 1.0 62 1
78 {} {0.163098203857 0.91257266176 0.236386271976} Pt63 1.0 63 1
78 {} {0.662302306377 0.662061052306 0.236466733899} Pt64 1.0 64 1
1 {} {0.529865145575 0.384734537391 0.318837009502} H1 1.0 65 1
1 {} {0.442834416898 0.549889343813 0.312206481483} H2 1.0 66 1
1 {} {0.256573184652 0.483423689167 0.323942863376} H3 1.0 67 1
1 {} {0.107574716893 0.613269558162 0.322367882897} H4 1.0 68 1
8 {} {0.431527488762 0.463873904773 0.316898747965} O1 1.0 69 1
8 {} {0.159064852537 0.512119162422 0.317617675132} O2 1.0 70 1
8 {} {0.583502467759 0.421257502633 0.388390633941} O3 1.0 71 1
8 {} {0.319368124487 0.547091924254 0.398891234806} O4 1.0 72 1
16 {} {0.45733914866 0.421842387054 0.40023835394} 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} {11.0868992727 11.0868992727 29.0524114545 90 90 60.0000014545} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868992727 0 0} {5.54344939261 9.60153656011 0} {0 0 29.0524114545}} {{0.0901965441737 0 0} {-0.0520749960056 0.104149996591 0} {0 0 0.0344205506509}}
@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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