#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 {} {0.661095826904 0.663250540148 0.000641500140415} Pt1 1.0 1 1
78 {} {0.411272482505 0.913172950889 0.000399784659728} Pt2 1.0 2 1
78 {} {0.41134117036 0.663297815883 0.000590522094279} Pt3 1.0 3 1
78 {} {0.161058660209 0.913336692106 0.000596422278698} Pt4 1.0 4 1
78 {} {0.911240928794 0.413069818399 0.000737141240062} Pt5 1.0 5 1
78 {} {0.91155367899 0.162934593766 0.000962853267314} Pt6 1.0 6 1
78 {} {0.661423192911 0.413058353079 0.000679717809278} Pt7 1.0 7 1
78 {} {0.161475327563 0.163320124122 0.000866488964061} Pt8 1.0 8 1
78 {} {0.911050950054 0.913177186313 0.000696458411344} Pt9 1.0 9 1
78 {} {0.910863651674 0.663209843474 0.000502532652828} Pt10 1.0 10 1
78 {} {0.661195678147 0.912998840988 0.000614088008414} Pt11 1.0 11 1
78 {} {0.161008212089 0.663275410316 0.000385626304505} Pt12 1.0 12 1
78 {} {0.66142167767 0.162691895591 0.000818618415041} Pt13 1.0 13 1
78 {} {0.411462956296 0.412864185179 0.000512538258378} Pt14 1.0 14 1
78 {} {0.411236467605 0.162992971631 0.000977095608961} Pt15 1.0 15 1
78 {} {0.161303974135 0.412856797406 0.000795899310594} Pt16 1.0 16 1
78 {} {0.744730257348 0.746119091885 0.0797209374165} Pt17 1.0 17 1
78 {} {0.745170965422 0.496003359298 0.0796356386854} Pt18 1.0 18 1
78 {} {0.494987568714 0.746389338714 0.0795767562823} Pt19 1.0 19 1
78 {} {-0.00510274968626 0.496082310412 0.0796090184172} Pt20 1.0 20 1
78 {} {0.495044731989 -0.00398766338955 0.0798240292763} Pt21 1.0 21 1
78 {} {0.245617246911 0.246692955478 0.0804411236091} Pt22 1.0 22 1
78 {} {0.244978927595 -0.00315958149488 0.0794931974682} Pt23 1.0 23 1
78 {} {-0.00422614119919 0.246335080782 0.0799923820027} Pt24 1.0 24 1
78 {} {0.495291325112 0.49578150734 0.0793170288151} Pt25 1.0 25 1
78 {} {0.244673959521 0.746327658405 0.0791292405699} Pt26 1.0 26 1
78 {} {0.245161713567 0.495885064886 0.0793144920977} Pt27 1.0 27 1
78 {} {-0.00539712415131 0.746048220195 0.0793507378467} Pt28 1.0 28 1
78 {} {0.745113871942 0.245888668356 0.0796945105083} Pt29 1.0 29 1
78 {} {0.744545079713 -0.00380353087305 0.0799111677841} Pt30 1.0 30 1
78 {} {0.494808484738 0.246222329878 0.0799228966592} Pt31 1.0 31 1
78 {} {-0.00524683404746 -0.00353294824628 0.0798473033593} Pt32 1.0 32 1
78 {} {0.328870237164 0.329859048366 0.158158302442} Pt33 1.0 33 1
78 {} {0.0779616777454 0.579259422392 0.156661297301} Pt34 1.0 34 1
78 {} {0.0790300591919 0.329302969517 0.158045416678} Pt35 1.0 35 1
78 {} {0.828365952349 0.578724985962 0.157365837569} Pt36 1.0 36 1
78 {} {0.578038056603 0.0791847034625 0.157869863039} Pt37 1.0 37 1
78 {} {0.578288303937 0.829335521458 0.157634733357} Pt38 1.0 38 1
78 {} {0.328307807657 0.0796700033241 0.157823167612} Pt39 1.0 39 1
78 {} {0.828016268845 0.830059986209 0.157306391101} Pt40 1.0 40 1
78 {} {0.579375251075 0.57905215821 0.15690304111} Pt41 1.0 41 1
78 {} {0.579810167499 0.328366877454 0.156910064122} Pt42 1.0 42 1
78 {} {0.328687234963 0.580224212712 0.156055015368} Pt43 1.0 43 1
78 {} {0.830423001315 0.32776454747 0.157200096967} Pt44 1.0 44 1
78 {} {0.326928190124 0.83188447176 0.156568229417} Pt45 1.0 45 1
78 {} {0.0785002338188 0.0799949297488 0.15781760547} Pt46 1.0 46 1
78 {} {0.0774742599157 0.831053480876 0.15680047342} Pt47 1.0 47 1
78 {} {0.828593720782 0.0794023312336 0.157753514294} Pt48 1.0 48 1
78 {} {0.411035799975 0.412492244423 0.234471276632} Pt49 1.0 49 1
78 {} {0.411720414304 0.161026765891 0.237284602023} Pt50 1.0 50 1
78 {} {0.158348297469 0.414097930596 0.236769955319} Pt51 1.0 51 1
78 {} {0.662416147176 0.1615037212 0.23665515795} Pt52 1.0 52 1
78 {} {0.160314640741 0.666082651351 0.233828236309} Pt53 1.0 53 1
78 {} {0.911245513402 0.91302607762 0.236994857311} Pt54 1.0 54 1
78 {} {0.90962876522 0.664068935236 0.235636073513} Pt55 1.0 55 1
78 {} {0.661557066096 0.912584994757 0.237067516363} Pt56 1.0 56 1
78 {} {0.161599233075 0.162294848262 0.237344489913} Pt57 1.0 57 1
78 {} {0.911548437852 0.412448981005 0.23698789736} Pt58 1.0 58 1
78 {} {0.912237905561 0.16203011179 0.237183216927} Pt59 1.0 59 1
78 {} {0.66540192292 0.412118836855 0.234943972737} Pt60 1.0 60 1
78 {} {0.41160675523 0.913798122386 0.236954954088} Pt61 1.0 61 1
78 {} {0.412318051598 0.667630452827 0.23403280213} Pt62 1.0 62 1
78 {} {0.161425495325 0.913894753647 0.236795604988} Pt63 1.0 63 1
78 {} {0.662149028196 0.662989497481 0.236942841059} Pt64 1.0 64 1
1 {} {0.541204738297 0.399881147497 0.318637377617} H1 1.0 65 1
1 {} {0.446654574011 0.554338180537 0.305508596817} H2 1.0 66 1
1 {} {0.253301553738 0.495748401712 0.324200224689} H3 1.0 67 1
1 {} {0.105753009125 0.624491098314 0.322243512393} H4 1.0 68 1
8 {} {0.444736109029 0.466694465178 0.311442222565} O1 1.0 69 1
8 {} {0.15465703979 0.522439499414 0.32368690348} O2 1.0 70 1
8 {} {0.589564448784 0.402503418279 0.386992565491} O3 1.0 71 1
8 {} {0.332841016132 0.531276155707 0.404388327777} O4 1.0 72 1
16 {} {0.466071635778 0.40491861369 0.406357408824} 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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