#MD System 2.0

@Title neb0_image11

@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 {} {0.655562235441 0.659155608431 0.0034159106551} Pt1 1.0 1 1
78 {} {0.405562235441 0.909155608431 0.0034159106551} Pt2 1.0 2 1
78 {} {0.405562235441 0.659155608431 0.0034159106551} Pt3 1.0 3 1
78 {} {0.155562235441 0.909155608431 0.0034159106551} Pt4 1.0 4 1
78 {} {0.905562235441 0.409155608431 0.0034159106551} Pt5 1.0 5 1
78 {} {0.905562235441 0.159155608431 0.0034159106551} Pt6 1.0 6 1
78 {} {0.655562235441 0.409155608431 0.0034159106551} Pt7 1.0 7 1
78 {} {0.155562235441 0.159155608431 0.0034159106551} Pt8 1.0 8 1
78 {} {0.905562235441 0.909155608431 0.0034159106551} Pt9 1.0 9 1
78 {} {0.905562235441 0.659155608431 0.0034159106551} Pt10 1.0 10 1
78 {} {0.655562235441 0.909155608431 0.0034159106551} Pt11 1.0 11 1
78 {} {0.155562235441 0.659155608431 0.0034159106551} Pt12 1.0 12 1
78 {} {0.655562235441 0.159155608431 0.0034159106551} Pt13 1.0 13 1
78 {} {0.405562235441 0.409155608431 0.0034159106551} Pt14 1.0 14 1
78 {} {0.405562235441 0.159155608431 0.0034159106551} Pt15 1.0 15 1
78 {} {0.155562235441 0.409155608431 0.0034159106551} Pt16 1.0 16 1
78 {} {0.738895235441 0.742488608431 0.0813131066405} Pt17 1.0 17 1
78 {} {0.738895235441 0.492488608431 0.0813131066405} Pt18 1.0 18 1
78 {} {0.488895235441 0.742488608431 0.0813131066405} Pt19 1.0 19 1
78 {} {-0.0111047645588 0.492488608431 0.0813131066405} Pt20 1.0 20 1
78 {} {0.488895235441 -0.00751139156892 0.0813131066405} Pt21 1.0 21 1
78 {} {0.238895235441 0.242488608431 0.0813131066405} Pt22 1.0 22 1
78 {} {0.238895235441 -0.00751139156892 0.0813131066405} Pt23 1.0 23 1
78 {} {-0.0111047645588 0.242488608431 0.0813131066405} Pt24 1.0 24 1
78 {} {0.488895235441 0.492488608431 0.0813131066405} Pt25 1.0 25 1
78 {} {0.238895235441 0.742488608431 0.0813131066405} Pt26 1.0 26 1
78 {} {0.238895235441 0.492488608431 0.0813131066405} Pt27 1.0 27 1
78 {} {-0.0111047645588 0.742488608431 0.0813131066405} Pt28 1.0 28 1
78 {} {0.738895235441 0.242488608431 0.0813131066405} Pt29 1.0 29 1
78 {} {0.738895235441 -0.00751139156892 0.0813131066405} Pt30 1.0 30 1
78 {} {0.488895235441 0.242488608431 0.0813131066405} Pt31 1.0 31 1
78 {} {-0.0111047645588 -0.00751139156892 0.0813131066405} Pt32 1.0 32 1
78 {} {0.323248235441 0.325287608431 0.159495954243} Pt33 1.0 33 1
78 {} {0.0729022354412 0.575529608431 0.159631638761} Pt34 1.0 34 1
78 {} {0.0722992354412 0.324912608431 0.158648521112} Pt35 1.0 35 1
78 {} {0.822522235441 0.574402608431 0.158814357746} Pt36 1.0 36 1
78 {} {0.572472235441 0.0751916084311 0.159053987713} Pt37 1.0 37 1
78 {} {0.572293235441 0.824762608431 0.159018281261} Pt38 1.0 38 1
78 {} {0.322164235441 0.0752046084311 0.15894607488} Pt39 1.0 39 1
78 {} {0.822037235441 0.825180608431 0.159004792157} Pt40 1.0 40 1
78 {} {0.572429235441 0.574710608431 0.15895083574} Pt41 1.0 41 1
78 {} {0.571726235441 0.325889608431 0.159306313308} Pt42 1.0 42 1
78 {} {0.321788235441 0.575045608431 0.160068844431} Pt43 1.0 43 1
78 {} {0.822377235441 0.324672608431 0.159080965922} Pt44 1.0 44 1
78 {} {0.322349235441 0.824935608431 0.158957183554} Pt45 1.0 45 1
78 {} {0.0720602354412 0.0749746084311 0.158906401044} Pt46 1.0 46 1
78 {} {0.0729242354412 0.824085608431 0.159634812668} Pt47 1.0 47 1
78 {} {0.822386235441 0.0755406084311 0.158749292655} Pt48 1.0 48 1
78 {} {0.408283235441 0.405461608431 0.239618852412} Pt49 1.0 49 1
78 {} {0.406134235441 0.156289608431 0.238327865798} Pt50 1.0 50 1
78 {} {0.155453235441 0.405445608431 0.237666899695} Pt51 1.0 51 1
78 {} {0.656476235441 0.156514608431 0.238288191962} Pt52 1.0 52 1
78 {} {0.154210235441 0.658565608431 0.239783895568} Pt53 1.0 53 1
78 {} {0.903488235441 0.909687608431 0.237874790594} Pt54 1.0 54 1
78 {} {0.903232235441 0.657666608431 0.237789888586} Pt55 1.0 55 1
78 {} {0.655111235441 0.907625608431 0.238355637483} Pt56 1.0 56 1
78 {} {0.155975235441 0.157169608431 0.238291365869} Pt57 1.0 57 1
78 {} {0.906072235441 0.406861608431 0.238297713683} Pt58 1.0 58 1
78 {} {0.906258235441 0.157344608431 0.238502430675} Pt59 1.0 59 1
78 {} {0.657447235441 0.407084608431 0.23874761498} Pt60 1.0 60 1
78 {} {0.406061235441 0.907362608431 0.238362778773} Pt61 1.0 61 1
78 {} {0.408488235441 0.657938608431 0.238506398059} Pt62 1.0 62 1
78 {} {0.156582235441 0.908888608431 0.238195355187} Pt63 1.0 63 1
78 {} {0.656156235441 0.657176608431 0.238471485083} Pt64 1.0 64 1
1 {} {0.661658235441 0.331720608431 0.309448770644} H1 1.0 65 1
1 {} {0.477741235441 0.605314608431 0.312124374124} H2 1.0 66 1
1 {} {0.238318235441 0.570383608431 0.324538317318} H3 1.0 67 1
1 {} {0.166253235441 0.734948608431 0.32485888191} H4 1.0 68 1
8 {} {0.477928235441 0.591781608431 0.346942132343} O1 1.0 69 1
8 {} {0.149949235441 0.658570608431 0.316792397634} O2 1.0 70 1
8 {} {0.648552235441 0.332574608431 0.344425224206} O3 1.0 71 1
8 {} {0.396335235441 0.424205608431 0.329426927354} O4 1.0 72 1
16 {} {0.494699235441 0.443101608431 0.360210649958} 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} {11.086898 11.086898 29.052414 90 90 60.000004} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.086898 0 0} {5.54344832969 9.60153570417 0} {0 0 29.052414}} {{0.0901965545277 0 0} {-0.0520749966407 0.104150005875 0} {0 0 0.034420547635}}
@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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