#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 {} {0.657880630612 0.660745136888 0.00234511761085} Pt1 1.0 1 1
78 {} {0.407872891026 0.910795302298 0.00234387227404} Pt2 1.0 2 1
78 {} {0.40792879 0.66075629569 0.00239872721058} Pt3 1.0 3 1
78 {} {0.157889247237 0.910813355152 0.00239671837071} Pt4 1.0 4 1
78 {} {0.90784652214 0.410713371414 0.00234271125119} Pt5 1.0 5 1
78 {} {0.907859259218 0.160820532823 0.00232613038419} Pt6 1.0 6 1
78 {} {0.657972574827 0.410726882026 0.00234894797416} Pt7 1.0 7 1
78 {} {0.157848604499 0.160755019266 0.00232040500527} Pt8 1.0 8 1
78 {} {0.907846835187 0.910808546979 0.00239362690726} Pt9 1.0 9 1
78 {} {0.907828881114 0.660748130487 0.00238706059688} Pt10 1.0 10 1
78 {} {0.657846352454 0.910749535068 0.00238489220333} Pt11 1.0 11 1
78 {} {0.157890012505 0.660770780083 0.00235873279407} Pt12 1.0 12 1
78 {} {0.657921358056 0.160755802839 0.00234605350874} Pt13 1.0 13 1
78 {} {0.407948338616 0.410720606915 0.00240229052215} Pt14 1.0 14 1
78 {} {0.40786853966 0.160732773114 0.0023906441679} Pt15 1.0 15 1
78 {} {0.157870438118 0.410686711593 0.00238864515665} Pt16 1.0 16 1
78 {} {0.741215560052 0.744062617766 0.0808765069948} Pt17 1.0 17 1
78 {} {0.741253941959 0.493992560449 0.0808746411932} Pt18 1.0 18 1
78 {} {0.491116716461 0.744207912084 0.0808499896198} Pt19 1.0 19 1
78 {} {-0.00858648025414 0.49411124101 0.0808847417447} Pt20 1.0 20 1
78 {} {0.491213314424 -0.00598329663441 0.0808985169896} Pt21 1.0 21 1
78 {} {0.241349247594 0.244104665653 0.0809033686965} Pt22 1.0 22 1
78 {} {0.241290514886 -0.00596306982981 0.0808206847332} Pt23 1.0 23 1
78 {} {-0.00869060084413 0.244004821341 0.0808295282663} Pt24 1.0 24 1
78 {} {0.490893731032 0.494167670111 0.0809804968198} Pt25 1.0 25 1
78 {} {0.241165629667 0.743771372486 0.0810246041531} Pt26 1.0 26 1
78 {} {0.241142181842 0.494141724353 0.081044414817} Pt27 1.0 27 1
78 {} {-0.00850025160571 0.743793503717 0.0809887001799} Pt28 1.0 28 1
78 {} {0.741164373228 0.244073735059 0.080889903347} Pt29 1.0 29 1
78 {} {0.741209226501 -0.00605503182454 0.0808762208763} Pt30 1.0 30 1
78 {} {0.491053026224 0.244101191757 0.0809151684559} Pt31 1.0 31 1
78 {} {-0.00858142598434 -0.00630697660804 0.0809505652739} Pt32 1.0 32 1
78 {} {0.325137938973 0.326896559625 0.158776419671} Pt33 1.0 33 1
78 {} {0.0750562398086 0.576756704914 0.158767805093} Pt34 1.0 34 1
78 {} {0.074767835072 0.326730672361 0.158241281045} Pt35 1.0 35 1
78 {} {0.824851944175 0.576163237082 0.158207701175} Pt36 1.0 36 1
78 {} {0.574931603742 0.0768583973919 0.158350991887} Pt37 1.0 37 1
78 {} {0.574756523527 0.826399719078 0.158353709875} Pt38 1.0 38 1
78 {} {0.324621826296 0.0767100099993 0.158289850846} Pt39 1.0 39 1
78 {} {0.824566749695 0.826835194468 0.158323776999} Pt40 1.0 40 1
78 {} {0.574900697475 0.576230538825 0.158366684429} Pt41 1.0 41 1
78 {} {0.574540373275 0.327166373059 0.158497991041} Pt42 1.0 42 1
78 {} {0.324203868092 0.576908042671 0.159156075227} Pt43 1.0 43 1
78 {} {0.82476562516 0.326434414589 0.158427917368} Pt44 1.0 44 1
78 {} {0.324721201796 0.826666682751 0.158331925551} Pt45 1.0 45 1
78 {} {0.0744416658371 0.0767022516856 0.158234018913} Pt46 1.0 46 1
78 {} {0.0754290175053 0.825482247767 0.159039463869} Pt47 1.0 47 1
78 {} {0.824753176452 0.0770586526555 0.15819233217} Pt48 1.0 48 1
78 {} {0.410711650777 0.40728851448 0.238153536817} Pt49 1.0 49 1
78 {} {0.40885408605 0.158015306623 0.23753004136} Pt50 1.0 50 1
78 {} {0.158287382724 0.406888987992 0.237233176503} Pt51 1.0 51 1
78 {} {0.658692828937 0.158654332916 0.237804154796} Pt52 1.0 52 1
78 {} {0.157370336419 0.65911374841 0.238891441273} Pt53 1.0 53 1
78 {} {0.906511043464 0.910879783287 0.237291499704} Pt54 1.0 54 1
78 {} {0.905825538413 0.659598185893 0.23704218287} Pt55 1.0 55 1
78 {} {0.657798880328 0.909255789775 0.237590784029} Pt56 1.0 56 1
78 {} {0.158480709817 0.158588279891 0.23751232092} Pt57 1.0 57 1
78 {} {0.908134939087 0.408696476308 0.237547378889} Pt58 1.0 58 1
78 {} {0.908602336018 0.15904626312 0.237709730955} Pt59 1.0 59 1
78 {} {0.659212529293 0.40851885913 0.23840364558} Pt60 1.0 60 1
78 {} {0.408561262692 0.908872610476 0.237606621158} Pt61 1.0 61 1
78 {} {0.410196253956 0.659461267078 0.237767176936} Pt62 1.0 62 1
78 {} {0.158864893948 0.910182035503 0.237528111233} Pt63 1.0 63 1
78 {} {0.658444218723 0.658933300543 0.237704165097} Pt64 1.0 64 1
1 {} {0.6243624679 0.337894118861 0.317594962658} H1 1.0 65 1
1 {} {0.461573299047 0.583485897024 0.310933898216} H2 1.0 66 1
1 {} {0.246384900857 0.536099545334 0.324768133192} H3 1.0 67 1
1 {} {0.147268419544 0.695229589627 0.325000468917} H4 1.0 68 1
8 {} {0.460117581508 0.587918070082 0.347673829723} O1 1.0 69 1
8 {} {0.145180324553 0.613891273657 0.313957716402} O2 1.0 70 1
8 {} {0.633299400497 0.343422311483 0.352098533065} O3 1.0 71 1
8 {} {0.364766797672 0.440135988161 0.350554547417} O4 1.0 72 1
16 {} {0.476387837925 0.453925754486 0.371842742227} 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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