#MD System 2.0

@Title neb0_image05

@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 {} {0.658143220483 0.661046659223 0.00160066312689} Pt1 1.0 1 1
78 {} {0.40816302759 0.911292831295 0.0015530797166} Pt2 1.0 2 1
78 {} {0.408215326853 0.661238923964 0.00206275775075} Pt3 1.0 3 1
78 {} {0.158220824648 0.911127631323 0.00208891501801} Pt4 1.0 4 1
78 {} {0.908047529546 0.411044748713 0.00150121580703} Pt5 1.0 5 1
78 {} {0.908184510036 0.161230199512 0.0016170793477} Pt6 1.0 6 1
78 {} {0.658315276317 0.411156091239 0.0017303916505} Pt7 1.0 7 1
78 {} {0.158099320522 0.161219052224 0.00133152777547} Pt8 1.0 8 1
78 {} {0.908304011442 0.911195313118 0.00212062740177} Pt9 1.0 9 1
78 {} {0.908042660944 0.661295269477 0.00177448832708} Pt10 1.0 10 1
78 {} {0.658053247828 0.911202365057 0.00179061452549} Pt11 1.0 11 1
78 {} {0.1582887305 0.66122491912 0.00203720762818} Pt12 1.0 12 1
78 {} {0.658276689895 0.161191759382 0.00169128998719} Pt13 1.0 13 1
78 {} {0.40837419042 0.411197077852 0.00203997035454} Pt14 1.0 14 1
78 {} {0.408241249451 0.161062162389 0.00178017987679} Pt15 1.0 15 1
78 {} {0.158290392731 0.411025279953 0.00172149919592} Pt16 1.0 16 1
78 {} {0.741586571946 0.744130945629 0.0806445209412} Pt17 1.0 17 1
78 {} {0.741470800808 0.493924162828 0.0807365362264} Pt18 1.0 18 1
78 {} {0.491287709962 0.744557635057 0.080732873848} Pt19 1.0 19 1
78 {} {-0.0083607244747 0.494173714918 0.0803996030983} Pt20 1.0 20 1
78 {} {0.4916103844 -0.00597822286689 0.0808030623341} Pt21 1.0 21 1
78 {} {0.241719431979 0.24400317027 0.0805344314427} Pt22 1.0 22 1
78 {} {0.241816931387 -0.00588894236047 0.0805708380347} Pt23 1.0 23 1
78 {} {-0.00835501783073 0.243550037605 0.0804613432449} Pt24 1.0 24 1
78 {} {0.491050944445 0.494568554796 0.0811414752149} Pt25 1.0 25 1
78 {} {0.241346008436 0.743806207838 0.0815780017619} Pt26 1.0 26 1
78 {} {0.241559172949 0.494276040086 0.0810393309635} Pt27 1.0 27 1
78 {} {-0.00786911823757 0.743852155753 0.0812536538679} Pt28 1.0 28 1
78 {} {0.741866761268 0.243836456823 0.0807309320552} Pt29 1.0 29 1
78 {} {0.741603131952 -0.00609306330183 0.080819562883} Pt30 1.0 30 1
78 {} {0.49168033311 0.244023657084 0.0807872649707} Pt31 1.0 31 1
78 {} {-0.00764285280397 -0.00714289852214 0.0812273211738} Pt32 1.0 32 1
78 {} {0.325872862861 0.326218415838 0.158364924913} Pt33 1.0 33 1
78 {} {0.0750364453979 0.576165093306 0.158467213808} Pt34 1.0 34 1
78 {} {0.0741419327631 0.326228888826 0.157749081289} Pt35 1.0 35 1
78 {} {0.824789211417 0.576094455068 0.158043741866} Pt36 1.0 36 1
78 {} {0.57553038768 0.0771281854246 0.158470191497} Pt37 1.0 37 1
78 {} {0.575254053081 0.826437515762 0.15839256353} Pt38 1.0 38 1
78 {} {0.324894985801 0.0768345857621 0.158315107449} Pt39 1.0 39 1
78 {} {0.8247861199 0.827204085209 0.158477544375} Pt40 1.0 40 1
78 {} {0.575125347626 0.576310641669 0.158644969738} Pt41 1.0 41 1
78 {} {0.575847765434 0.326978038676 0.158549162382} Pt42 1.0 42 1
78 {} {0.324597889503 0.576618329154 0.159502981381} Pt43 1.0 43 1
78 {} {0.824748161365 0.32650832808 0.158697624779} Pt44 1.0 44 1
78 {} {0.32521124723 0.826889287845 0.158652900445} Pt45 1.0 45 1
78 {} {0.0749125287996 0.0762420675226 0.158366070172} Pt46 1.0 46 1
78 {} {0.076255973792 0.824530200084 0.16018223925} Pt47 1.0 47 1
78 {} {0.82559031515 0.076706294183 0.158429693706} Pt48 1.0 48 1
78 {} {0.4115392277 0.405747019277 0.237732694505} Pt49 1.0 49 1
78 {} {0.409439796973 0.157890117539 0.237646413863} Pt50 1.0 50 1
78 {} {0.158806944844 0.404869070055 0.236103727152} Pt51 1.0 51 1
78 {} {0.6591267066 0.158879631313 0.2380731714} Pt52 1.0 52 1
78 {} {0.159208846371 0.656214063359 0.239010502171} Pt53 1.0 53 1
78 {} {0.906973054181 0.910680624854 0.237746658943} Pt54 1.0 54 1
78 {} {0.905704399952 0.659266209633 0.236546587404} Pt55 1.0 55 1
78 {} {0.658030512643 0.909575890451 0.23760548186} Pt56 1.0 56 1
78 {} {0.15870035868 0.158238362819 0.237540027981} Pt57 1.0 57 1
78 {} {0.908040096284 0.408722664162 0.237675093835} Pt58 1.0 58 1
78 {} {0.908581272564 0.159296777117 0.237868891676} Pt59 1.0 59 1
78 {} {0.659030677605 0.408772862451 0.238874980855} Pt60 1.0 60 1
78 {} {0.408771930775 0.908789479308 0.237634499826} Pt61 1.0 61 1
78 {} {0.410261952494 0.658695055547 0.238132179372} Pt62 1.0 62 1
78 {} {0.159189106068 0.909892417473 0.237983412898} Pt63 1.0 63 1
78 {} {0.658212803892 0.6589847035 0.237764093951} Pt64 1.0 64 1
1 {} {0.624922019581 0.333408483926 0.318060024894} H1 1.0 65 1
1 {} {0.457494830115 0.588371562978 0.312036464548} H2 1.0 66 1
1 {} {0.237258761686 0.53699624406 0.325310306869} H3 1.0 67 1
1 {} {0.137151642182 0.700386558718 0.328825887034} H4 1.0 68 1
8 {} {0.454663467172 0.59621725313 0.346296233233} O1 1.0 69 1
8 {} {0.148877154178 0.617268983453 0.31286614041} O2 1.0 70 1
8 {} {0.627178615712 0.339275275112 0.352147251444} O3 1.0 71 1
8 {} {0.369937025058 0.427167999283 0.354763520726} O4 1.0 72 1
16 {} {0.478837062187 0.457267813649 0.372328850364} 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} {11.0868983636 11.0868983636 29.0524132727 90 90 60.0000032727} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868983636 0 0} {5.54344863338 9.60153594873 0} {0 0 29.0524132727}} {{0.0901965515697 0 0} {-0.0520749964593 0.104150003222 0} {0 0 0.0344205484967}}
@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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