#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 {} {0.661570027853 0.663543282515 0.000712582227059} Pt1 1.0 1 1
78 {} {0.411715815429 0.913433181784 0.000497390894137} Pt2 1.0 2 1
78 {} {0.41179089409 0.663608468989 0.000792541029016} Pt3 1.0 3 1
78 {} {0.161685662232 0.913523051311 0.000654003703737} Pt4 1.0 4 1
78 {} {0.911859033434 0.413312301949 0.000789291901619} Pt5 1.0 5 1
78 {} {0.911909786345 0.163368911434 0.000878421073045} Pt6 1.0 6 1
78 {} {0.661807602495 0.413471211126 0.000720795972259} Pt7 1.0 7 1
78 {} {0.161757443468 0.163674450788 0.000760426838963} Pt8 1.0 8 1
78 {} {0.91168569672 0.913520909014 0.00078686491096} Pt9 1.0 9 1
78 {} {0.911504096972 0.663491203359 0.000689456306871} Pt10 1.0 10 1
78 {} {0.661700832186 0.913375510266 0.000670915871288} Pt11 1.0 11 1
78 {} {0.161705959992 0.663573118269 0.0007318574427} Pt12 1.0 12 1
78 {} {0.661887756332 0.163247293917 0.00080077216578} Pt13 1.0 13 1
78 {} {0.411859212473 0.413354936309 0.00071165975358} Pt14 1.0 14 1
78 {} {0.411667398973 0.163330521731 0.000848030391556} Pt15 1.0 15 1
78 {} {0.161727232578 0.413298448812 0.000792900826187} Pt16 1.0 16 1
78 {} {0.745142086452 0.746424475818 0.0796553032651} Pt17 1.0 17 1
78 {} {0.745238311418 0.496493250524 0.0796717950343} Pt18 1.0 18 1
78 {} {0.49529460187 0.746599260478 0.0797627138818} Pt19 1.0 19 1
78 {} {-0.00451771619057 0.496353789431 0.0797603991135} Pt20 1.0 20 1
78 {} {0.495248895067 -0.00351694295594 0.079681753853} Pt21 1.0 21 1
78 {} {0.245606435323 0.246969624741 0.0801718168868} Pt22 1.0 22 1
78 {} {0.245394343201 -0.00324086866297 0.0795044245991} Pt23 1.0 23 1
78 {} {-0.0040942040475 0.246818692594 0.0799695114491} Pt24 1.0 24 1
78 {} {0.495414724537 0.496349381283 0.0796484905061} Pt25 1.0 25 1
78 {} {0.245396339019 0.746482983564 0.079580302579} Pt26 1.0 26 1
78 {} {0.245429302876 0.496354368486 0.0795744237071} Pt27 1.0 27 1
78 {} {-0.00477115704296 0.746268362561 0.079537293314} Pt28 1.0 28 1
78 {} {0.745297543246 0.246566516581 0.0797371329967} Pt29 1.0 29 1
78 {} {0.745002104052 -0.00333639590884 0.0797869024462} Pt30 1.0 30 1
78 {} {0.495015880497 0.246666729506 0.0797859398064} Pt31 1.0 31 1
78 {} {-0.00469554517894 -0.00340355626023 0.0797689842172} Pt32 1.0 32 1
78 {} {0.329134223372 0.329834468259 0.157855595309} Pt33 1.0 33 1
78 {} {0.0786578493617 0.579544025832 0.156987123878} Pt34 1.0 34 1
78 {} {0.0795118185009 0.329600519929 0.158075372953} Pt35 1.0 35 1
78 {} {0.8284553169 0.579053982154 0.157240098211} Pt36 1.0 36 1
78 {} {0.578735940757 0.079617713718 0.157606066264} Pt37 1.0 37 1
78 {} {0.578837555177 0.829466051867 0.157387278414} Pt38 1.0 38 1
78 {} {0.328885482687 0.0791951523759 0.157459879801} Pt39 1.0 39 1
78 {} {0.828539452128 0.830137160681 0.157151445363} Pt40 1.0 40 1
78 {} {0.579173638385 0.578945423361 0.157453647298} Pt41 1.0 41 1
78 {} {0.579868037745 0.328590879644 0.157186831228} Pt42 1.0 42 1
78 {} {0.329398130258 0.579877669794 0.156803241004} Pt43 1.0 43 1
78 {} {0.829614630677 0.328817421681 0.157290904285} Pt44 1.0 44 1
78 {} {0.328291031752 0.830222416648 0.157120290013} Pt45 1.0 45 1
78 {} {0.0788579854442 0.0797570239182 0.157460999503} Pt46 1.0 46 1
78 {} {0.0781693424343 0.830648768769 0.157002275152} Pt47 1.0 47 1
78 {} {0.828831683095 0.0797434167416 0.157557605718} Pt48 1.0 48 1
78 {} {0.412586655074 0.411787659795 0.234762039459} Pt49 1.0 49 1
78 {} {0.412752906134 0.16045458413 0.236779357357} Pt50 1.0 50 1
78 {} {0.159648679509 0.413721955348 0.236781496848} Pt51 1.0 51 1
78 {} {0.663322696864 0.161261825104 0.237028975969} Pt52 1.0 52 1
78 {} {0.161448312 0.665791136172 0.234471110943} Pt53 1.0 53 1
78 {} {0.911834490973 0.912902532845 0.236766789851} Pt54 1.0 54 1
78 {} {0.909795713851 0.663970033215 0.235537072415} Pt55 1.0 55 1
78 {} {0.662038655491 0.912401576313 0.236664079127} Pt56 1.0 56 1
78 {} {0.162564872208 0.161492905302 0.236804376964} Pt57 1.0 57 1
78 {} {0.911618980611 0.41226719116 0.236761195434} Pt58 1.0 58 1
78 {} {0.912662731179 0.161977925138 0.236757503502} Pt59 1.0 59 1
78 {} {0.664885619736 0.411793274426 0.236202833382} Pt60 1.0 60 1
78 {} {0.412506144164 0.912342970852 0.236681086392} Pt61 1.0 61 1
78 {} {0.413359189653 0.665362182032 0.235885748403} Pt62 1.0 62 1
78 {} {0.162509967099 0.913061706996 0.23666435946} Pt63 1.0 63 1
78 {} {0.662306771018 0.662246935669 0.236764491504} Pt64 1.0 64 1
1 {} {0.534459103297 0.388764093006 0.318109598333} H1 1.0 65 1
1 {} {0.444779213625 0.549773171203 0.310454198996} H2 1.0 66 1
1 {} {0.254975399793 0.488012852769 0.323886864037} H3 1.0 67 1
1 {} {0.107873957378 0.616825829807 0.322268645416} H4 1.0 68 1
8 {} {0.436939288921 0.465432711849 0.314496573916} O1 1.0 69 1
8 {} {0.157389022831 0.515413319848 0.319538432196} O2 1.0 70 1
8 {} {0.586228503838 0.414830133565 0.387962257526} O3 1.0 71 1
8 {} {0.32195389025 0.542382991075 0.400992542626} O4 1.0 72 1
16 {} {0.459524886941 0.419019366621 0.401685999984} 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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