#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 {} {0.663190789474 0.660680921053 0.000769868421053} Pt1 1.0 1 -1
78 {} {0.413190789474 0.910680921053 0.000769868421053} Pt2 1.0 2 -1
78 {} {0.413190789474 0.660680921053 0.000769868421053} Pt3 1.0 3 -1
78 {} {0.163190789474 0.910680921053 0.000769868421053} Pt4 1.0 4 -1
78 {} {0.913190789474 0.410680921053 0.000769868421053} Pt5 1.0 5 -1
78 {} {0.913190789474 0.160680921053 0.000769868421053} Pt6 1.0 6 -1
78 {} {0.663190789474 0.410680921053 0.000769868421053} Pt7 1.0 7 -1
78 {} {0.163190789474 0.160680921053 0.000769868421053} Pt8 1.0 8 -1
78 {} {0.913190789474 0.910680921053 0.000769868421053} Pt9 1.0 9 -1
78 {} {0.913190789474 0.660680921053 0.000769868421053} Pt10 1.0 10 -1
78 {} {0.663190789474 0.910680921053 0.000769868421053} Pt11 1.0 11 -1
78 {} {0.163190789474 0.660680921053 0.000769868421053} Pt12 1.0 12 -1
78 {} {0.663190789474 0.160680921053 0.000769868421053} Pt13 1.0 13 -1
78 {} {0.413190789474 0.410680921053 0.000769868421053} Pt14 1.0 14 -1
78 {} {0.413190789474 0.160680921053 0.000769868421053} Pt15 1.0 15 -1
78 {} {0.163190789474 0.410680921053 0.000769868421053} Pt16 1.0 16 -1
78 {} {0.746520789474 0.744010921053 0.0786698684211} Pt17 1.0 17 -1
78 {} {0.746520789474 0.494010921053 0.0786698684211} Pt18 1.0 18 -1
78 {} {0.496520789474 0.744010921053 0.0786698684211} Pt19 1.0 19 -1
78 {} {-0.00347921052632 0.494010921053 0.0786698684211} Pt20 1.0 20 -1
78 {} {0.496520789474 -0.00598907894737 0.0786698684211} Pt21 1.0 21 -1
78 {} {0.246520789474 0.244010921053 0.0786698684211} Pt22 1.0 22 -1
78 {} {0.246520789474 -0.00598907894737 0.0786698684211} Pt23 1.0 23 -1
78 {} {-0.00347921052632 0.244010921053 0.0786698684211} Pt24 1.0 24 -1
78 {} {0.496520789474 0.494010921053 0.0786698684211} Pt25 1.0 25 -1
78 {} {0.246520789474 0.744010921053 0.0786698684211} Pt26 1.0 26 -1
78 {} {0.246520789474 0.494010921053 0.0786698684211} Pt27 1.0 27 -1
78 {} {-0.00347921052632 0.744010921053 0.0786698684211} Pt28 1.0 28 -1
78 {} {0.746520789474 0.244010921053 0.0786698684211} Pt29 1.0 29 -1
78 {} {0.746520789474 -0.00598907894737 0.0786698684211} Pt30 1.0 30 -1
78 {} {0.496520789474 0.244010921053 0.0786698684211} Pt31 1.0 31 -1
78 {} {-0.00347921052632 -0.00598907894737 0.0786698684211} Pt32 1.0 32 -1
78 {} {0.330340789474 0.326580921053 0.156499868421} Pt33 1.0 33 -1
78 {} {0.0804407894737 0.576930921053 0.157059868421} Pt34 1.0 34 -1
78 {} {0.0798107894737 0.325910921053 0.156459868421} Pt35 1.0 35 -1
78 {} {0.830280789474 0.576090921053 0.156039868421} Pt36 1.0 36 -1
78 {} {0.579850789474 0.0766209210526 0.156329868421} Pt37 1.0 37 -1
78 {} {0.579990789474 0.826440921053 0.156239868421} Pt38 1.0 38 -1
78 {} {0.328840789474 0.0769909210526 0.156619868421} Pt39 1.0 39 -1
78 {} {0.829990789474 0.827030921053 0.156829868421} Pt40 1.0 40 -1
78 {} {0.579950789474 0.576320921053 0.156269868421} Pt41 1.0 41 -1
78 {} {0.580060789474 0.326680921053 0.156319868421} Pt42 1.0 42 -1
78 {} {0.328860789474 0.577140921053 0.157149868421} Pt43 1.0 43 -1
78 {} {0.829850789474 0.326230921053 0.156349868421} Pt44 1.0 44 -1
78 {} {0.329680789474 0.826460921053 0.156259868421} Pt45 1.0 45 -1
78 {} {0.0798307894737 0.0770909210526 0.156509868421} Pt46 1.0 46 -1
78 {} {0.0793007894737 0.826210921053 0.157479868421} Pt47 1.0 47 -1
78 {} {0.830610789474 0.0761009210526 0.156479868421} Pt48 1.0 48 -1
78 {} {0.415330789474 0.406610921053 0.235899868421} Pt49 1.0 49 -1
78 {} {0.413710789474 0.158010921053 0.235519868421} Pt50 1.0 50 -1
78 {} {0.162840789474 0.407260921053 0.234979868421} Pt51 1.0 51 -1
78 {} {0.663040789474 0.158980921053 0.235619868421} Pt52 1.0 52 -1
78 {} {0.162450789474 0.658930921053 0.237309868421} Pt53 1.0 53 -1
78 {} {0.910530789474 0.911260921053 0.237619868421} Pt54 1.0 54 -1
78 {} {0.910420789474 0.658920921053 0.235229868421} Pt55 1.0 55 -1
78 {} {0.662180789474 0.908950921053 0.235649868421} Pt56 1.0 56 -1
78 {} {0.163130789474 0.158900921053 0.237769868421} Pt57 1.0 57 -1
78 {} {0.912650789474 0.409120921053 0.235579868421} Pt58 1.0 58 -1
78 {} {0.912760789474 0.159690921053 0.235609868421} Pt59 1.0 59 -1
78 {} {0.664110789474 0.408560921053 0.235959868421} Pt60 1.0 60 -1
78 {} {0.413870789474 0.908990921053 0.235489868421} Pt61 1.0 61 -1
78 {} {0.415590789474 0.659430921053 0.235509868421} Pt62 1.0 62 -1
78 {} {0.163550789474 0.910430921053 0.235109868421} Pt63 1.0 63 -1
78 {} {0.663450789474 0.658800921053 0.235959868421} Pt64 1.0 64 -1
8 {} {0.497420789474 0.585600921053 0.375469868421} O1 1.0 65 -1
8 {} {0.619410789474 0.374660921053 0.342639868421} O2 1.0 66 -1
8 {} {0.402860789474 0.542930921053 0.328049868421} O3 1.0 67 -1
8 {} {0.161700789474 0.658770921053 0.313969868421} O4 1.0 68 -1
8 {} {0.660300789474 0.538180921053 0.365139868421} O5 1.0 69 -1
16 {} {0.512850789474 0.508280921053 0.357789868421} S1 1.0 70 -1
1 {} {0.689060789474 0.767040921053 0.301409868421} H1 1.0 71 -1
1 {} {0.630260789474 0.368850921053 0.307769868421} H2 1.0 72 -1
1 {} {0.130500789474 0.742660921053 0.321989868421} H3 1.0 73 -1
1 {} {0.249300789474 0.615120921053 0.322439868421} H4 1.0 74 -1
1 {} {0.704140789474 0.500700921053 0.343689868421} H5 1.0 75 -1
1 {} {0.923720789474 0.348660921053 0.328929868421} 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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