#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 {} {0.66235295443 0.658304586423 0.000591757718115} Pt1 1.0 1 -1
78 {} {0.412005177268 0.908435830222 0.00116822888856} Pt2 1.0 2 -1
78 {} {0.411787764008 0.657618550471 0.000331391168845} Pt3 1.0 3 -1
78 {} {0.162128582732 0.90801017057 0.0016574966043} Pt4 1.0 4 -1
78 {} {0.911743312987 0.40794870743 0.000780703109198} Pt5 1.0 5 -1
78 {} {0.911983404312 0.158490052774 0.000993455759512} Pt6 1.0 6 -1
78 {} {0.661582072753 0.408446393735 0.000288880105046} Pt7 1.0 7 -1
78 {} {0.162009939076 0.157834385619 0.0017348686317} Pt8 1.0 8 -1
78 {} {0.911012218317 0.90803687949 0.00184138634533} Pt9 1.0 9 -1
78 {} {0.911376606535 0.658491948362 0.0015110756629} Pt10 1.0 10 -1
78 {} {0.662623056742 0.907883760084 0.000970062181931} Pt11 1.0 11 -1
78 {} {0.161318344479 0.658243705205 0.000968968383745} Pt12 1.0 12 -1
78 {} {0.6620715489 0.157444021636 0.000709809552207} Pt13 1.0 13 -1
78 {} {0.411662788482 0.408443460204 0.000300770848851} Pt14 1.0 14 -1
78 {} {0.411922879247 0.157866609252 0.000887606911781} Pt15 1.0 15 -1
78 {} {0.161918904322 0.407844938114 0.0010192055789} Pt16 1.0 16 -1
78 {} {0.743701472392 0.741282413279 0.0805625912634} Pt17 1.0 17 -1
78 {} {0.744780287456 0.491141447949 0.0796823554153} Pt18 1.0 18 -1
78 {} {0.494075425984 0.740907666707 0.0792618828974} Pt19 1.0 19 -1
78 {} {-0.00502953873503 0.491275713567 0.0800306458442} Pt20 1.0 20 -1
78 {} {0.494968941505 -0.00936839300664 0.0802981730824} Pt21 1.0 21 -1
78 {} {0.245594584062 0.240033840256 0.0804556663722} Pt22 1.0 22 -1
78 {} {0.245374798049 -0.00924658397241 0.0811543004568} Pt23 1.0 23 -1
78 {} {-0.00496606535462 0.240655895201 0.0804374964442} Pt24 1.0 24 -1
78 {} {0.494064487948 0.49105806572 0.0793982059115} Pt25 1.0 25 -1
78 {} {0.244871240176 0.740578476962 0.0801074634385} Pt26 1.0 26 -1
78 {} {0.244481674107 0.491156460407 0.0798757284146} Pt27 1.0 27 -1
78 {} {-0.00482454800173 0.740705325223 0.0808335444598} Pt28 1.0 28 -1
78 {} {0.744698124876 0.241213539988 0.0793631545716} Pt29 1.0 29 -1
78 {} {0.743861648231 -0.00863871451209 0.0807700873618} Pt30 1.0 30 -1
78 {} {0.49419303428 0.241310322711 0.0793175125689} Pt31 1.0 31 -1
78 {} {-0.00512326011201 -0.00985606096211 0.0803384099132} Pt32 1.0 32 -1
78 {} {0.327410327153 0.323158642158 0.157192141599} Pt33 1.0 33 -1
78 {} {0.0773392042118 0.574542094813 0.158146843312} Pt34 1.0 34 -1
78 {} {0.0764436997952 0.323636783567 0.158156050663} Pt35 1.0 35 -1
78 {} {0.828528311875 0.571887949283 0.157932689433} Pt36 1.0 36 -1
78 {} {0.576701699641 0.0732939583901 0.157931025658} Pt37 1.0 37 -1
78 {} {0.577066392516 0.824356257806 0.158139090311} Pt38 1.0 38 -1
78 {} {0.323136378313 0.0754642185917 0.159442615252} Pt39 1.0 39 -1
78 {} {0.826465779592 0.823619852382 0.158390446955} Pt40 1.0 40 -1
78 {} {0.577398706708 0.573720306774 0.156713455644} Pt41 1.0 41 -1
78 {} {0.577958667585 0.323164511452 0.156683745234} Pt42 1.0 42 -1
78 {} {0.326606563287 0.573816395635 0.157701844944} Pt43 1.0 43 -1
78 {} {0.827812864141 0.323789833192 0.157612025649} Pt44 1.0 44 -1
78 {} {0.328074185118 0.822737527999 0.157820817974} Pt45 1.0 45 -1
78 {} {0.0773611706189 0.0741387000225 0.158538466942} Pt46 1.0 46 -1
78 {} {0.0762986369407 0.824021452803 0.158991362532} Pt47 1.0 47 -1
78 {} {0.828278043713 0.0736991213445 0.157851982638} Pt48 1.0 48 -1
78 {} {0.411492014421 0.403284276339 0.235893617709} Pt49 1.0 49 -1
78 {} {0.409745425426 0.156030568414 0.236779088392} Pt50 1.0 50 -1
78 {} {0.160263440831 0.405696017917 0.235990554128} Pt51 1.0 51 -1
78 {} {0.65836419682 0.159448710649 0.236581950125} Pt52 1.0 52 -1
78 {} {0.160110193891 0.655066406354 0.237849120047} Pt53 1.0 53 -1
78 {} {0.906590687408 0.906754293907 0.239012437782} Pt54 1.0 54 -1
78 {} {0.909243396154 0.652804243167 0.237565213407} Pt55 1.0 55 -1
78 {} {0.655493958936 0.906688676041 0.239175467572} Pt56 1.0 56 -1
78 {} {0.158191455099 0.15850125041 0.241399381244} Pt57 1.0 57 -1
78 {} {0.90737054316 0.408395266513 0.238641070955} Pt58 1.0 58 -1
78 {} {0.908484182175 0.154979767858 0.236696281535} Pt59 1.0 59 -1
78 {} {0.660268261037 0.405339993591 0.236656857105} Pt60 1.0 60 -1
78 {} {0.410230237904 0.906765883039 0.236921312265} Pt61 1.0 61 -1
78 {} {0.411876197333 0.656331550716 0.236022910774} Pt62 1.0 62 -1
78 {} {0.158046158753 0.907725337087 0.236502377198} Pt63 1.0 63 -1
78 {} {0.659859882014 0.654350466991 0.236841480966} Pt64 1.0 64 -1
8 {} {0.498746255195 0.553516933119 0.406253096546} O1 1.0 65 -1
8 {} {0.598200834276 0.380945517561 0.345402067278} O2 1.0 66 -1
8 {} {0.413530091396 0.618707965423 0.326165775617} O3 1.0 67 -1
8 {} {0.158234469743 0.65398531671 0.315805868371} O4 1.0 68 -1
8 {} {0.64606379922 0.577281068024 0.349947802089} O5 1.0 69 -1
16 {} {0.527710393076 0.53687049966 0.35861755597} S1 1.0 70 -1
1 {} {0.79199598649 0.859935020334 0.274504901299} H1 1.0 71 -1
1 {} {0.613847468097 0.366979700723 0.310664825268} H2 1.0 72 -1
1 {} {0.0945399434246 0.75192535711 0.323082477151} H3 1.0 73 -1
1 {} {0.253039830917 0.635063831754 0.324293153408} H4 1.0 74 -1
1 {} {0.675004379967 0.567024990361 0.316435673522} H5 1.0 75 -1
1 {} {1.07058380955 0.23122008111 0.285450174702} 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 29.0524 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 29.0524}} {{0.0901965382569 0 0} {-0.0520749956426 0.104149991285 0} {0 0 0.0344205642219}}
@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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