#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 {} {0.661392135722 0.6631247419 0.00134894476493} Pt1 1.0 1 1
78 {} {0.411370903137 0.913105688627 0.00128662484985} Pt2 1.0 2 1
78 {} {0.411396011765 0.663064576561 0.0013840930819} Pt3 1.0 3 1
78 {} {0.161310706873 0.913145417138 0.00137495025627} Pt4 1.0 4 1
78 {} {0.911413411846 0.413061006384 0.00137769720393} Pt5 1.0 5 1
78 {} {0.91136573864 0.163070668855 0.00139221729194} Pt6 1.0 6 1
78 {} {0.66141392347 0.41308550618 0.00137377001269} Pt7 1.0 7 1
78 {} {0.161304789685 0.163122546173 0.00135491573808} Pt8 1.0 8 1
78 {} {0.911412920473 0.913085391261 0.00146680280884} Pt9 1.0 9 1
78 {} {0.911439831774 0.663140359302 0.00143664886886} Pt10 1.0 10 1
78 {} {0.661426128152 0.913104951272 0.00138314911114} Pt11 1.0 11 1
78 {} {0.161254189433 0.663163900861 0.00144931355162} Pt12 1.0 12 1
78 {} {0.661446498353 0.163029874724 0.0013909522978} Pt13 1.0 13 1
78 {} {0.41138391682 0.413097855715 0.00138823709235} Pt14 1.0 14 1
78 {} {0.411422901247 0.163143833328 0.00138582691856} Pt15 1.0 15 1
78 {} {0.161332942157 0.413158718055 0.00139561481192} Pt16 1.0 16 1
78 {} {0.74489551723 0.746307177848 0.0797769832938} Pt17 1.0 17 1
78 {} {0.744781814722 0.496389483611 0.079761279515} Pt18 1.0 18 1
78 {} {0.494749133319 0.746354761735 0.0797997083311} Pt19 1.0 19 1
78 {} {-0.00513749635613 0.496469705109 0.079841797297} Pt20 1.0 20 1
78 {} {0.494715233214 -0.00359129218099 0.0797615825304} Pt21 1.0 21 1
78 {} {0.244636246829 0.246616732242 0.079836379453} Pt22 1.0 22 1
78 {} {0.244699484736 -0.00355420018433 0.0797435544428} Pt23 1.0 23 1
78 {} {-0.00519823234861 0.24655612674 0.0798627502981} Pt24 1.0 24 1
78 {} {0.49463765893 0.496399003912 0.0798020617468} Pt25 1.0 25 1
78 {} {0.244654026631 0.746302478641 0.0797886723351} Pt26 1.0 26 1
78 {} {0.244580968662 0.496469933618 0.0798687836742} Pt27 1.0 27 1
78 {} {-0.0051794735408 0.746184268309 0.0797826388431} Pt28 1.0 28 1
78 {} {0.744714041223 0.246429718488 0.0797670055108} Pt29 1.0 29 1
78 {} {0.744815732368 -0.00368517912344 0.0797670634676} Pt30 1.0 30 1
78 {} {0.494597265415 0.24651963894 0.0798356911605} Pt31 1.0 31 1
78 {} {-0.0051781449268 -0.00379188126622 0.0797908184728} Pt32 1.0 32 1
78 {} {0.328174066044 0.329349269991 0.157675017245} Pt33 1.0 33 1
78 {} {0.0786452125957 0.578988124844 0.157650846139} Pt34 1.0 34 1
78 {} {0.0788246011593 0.329442631174 0.157635274254} Pt35 1.0 35 1
78 {} {0.828345271526 0.578835062318 0.157142518163} Pt36 1.0 36 1
78 {} {0.578581871484 0.0793348067358 0.15720522096} Pt37 1.0 37 1
78 {} {0.578441390313 0.828970469078 0.157247435781} Pt38 1.0 38 1
78 {} {0.328360498956 0.0789738279422 0.157230943326} Pt39 1.0 39 1
78 {} {0.828326522042 0.829240639282 0.157078625607} Pt40 1.0 40 1
78 {} {0.578490220612 0.578667089528 0.157310231432} Pt41 1.0 41 1
78 {} {0.578548880697 0.329107837049 0.15710342215} Pt42 1.0 42 1
78 {} {0.328309760748 0.579119972349 0.157628533648} Pt43 1.0 43 1
78 {} {0.828462557076 0.328873536816 0.157207763687} Pt44 1.0 44 1
78 {} {0.328251365481 0.829153751383 0.157232535968} Pt45 1.0 45 1
78 {} {0.0780410595263 0.0792329141065 0.157115381401} Pt46 1.0 46 1
78 {} {0.078437485531 0.828745433386 0.157424862254} Pt47 1.0 47 1
78 {} {0.82823681078 0.0794139289538 0.157247020364} Pt48 1.0 48 1
78 {} {0.414706953172 0.410215225116 0.2365254524} Pt49 1.0 49 1
78 {} {0.412987372738 0.160024333919 0.236315383102} Pt50 1.0 50 1
78 {} {0.16165593967 0.410485509165 0.237026849735} Pt51 1.0 51 1
78 {} {0.662422373608 0.161423178016 0.237032888135} Pt52 1.0 52 1
78 {} {0.161527955843 0.663506258112 0.23658570702} Pt53 1.0 53 1
78 {} {0.911066871059 0.912600779376 0.236439906131} Pt54 1.0 54 1
78 {} {0.909721305719 0.662680421077 0.236057238263} Pt55 1.0 55 1
78 {} {0.661811346723 0.911627657762 0.236527936773} Pt56 1.0 56 1
78 {} {0.162234219882 0.160418654409 0.236352302575} Pt57 1.0 57 1
78 {} {0.911218964018 0.411439755164 0.236442976916} Pt58 1.0 58 1
78 {} {0.912242285122 0.161479411186 0.236622039753} Pt59 1.0 59 1
78 {} {0.662728408919 0.411271096725 0.23706427387} Pt60 1.0 60 1
78 {} {0.412325539279 0.911204554314 0.23656566677} Pt61 1.0 61 1
78 {} {0.413152460362 0.66208787558 0.236791623556} Pt62 1.0 62 1
78 {} {0.162386692532 0.912139490494 0.236448663017} Pt63 1.0 63 1
78 {} {0.661925503762 0.661598278874 0.236667578314} Pt64 1.0 64 1
1 {} {0.563411235357 0.346322638496 0.319923412823} H1 1.0 65 1
1 {} {0.439531109663 0.565680910402 0.309976982593} H2 1.0 66 1
1 {} {0.252496507071 0.493651324573 0.324600714217} H3 1.0 67 1
1 {} {0.119109239559 0.624978571154 0.323296436281} H4 1.0 68 1
8 {} {0.427653099432 0.510483201852 0.336989721463} O1 1.0 69 1
8 {} {0.157175654642 0.530989809923 0.314355666937} O2 1.0 70 1
8 {} {0.613493974316 0.382066259167 0.376784162254} O3 1.0 71 1
8 {} {0.300489983173 0.522299182679 0.387549686098} O4 1.0 72 1
16 {} {0.45634089277 0.458114235293 0.390725945377} 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} {11.0868990909 11.0868990909 29.0524118182 90 90 60.0000018182} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868990909 0 0} {5.54344924077 9.60153643783 0} {0 0 29.0524118182}} {{0.0901965456528 0 0} {-0.0520749960963 0.104149997917 0} {0 0 0.03442055022}}
@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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