#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 {} {0.658127587851 0.660975962772 0.00168117314587} Pt1 1.0 1 1
78 {} {0.408146687318 0.911203638521 0.00164560415841} Pt2 1.0 2 1
78 {} {0.408249673902 0.661085189517 0.00201018711967} Pt3 1.0 3 1
78 {} {0.158163186424 0.911093330481 0.00202654076497} Pt4 1.0 4 1
78 {} {0.908055865097 0.410961282874 0.00165200352512} Pt5 1.0 5 1
78 {} {0.908102365026 0.161213495633 0.00167176889921} Pt6 1.0 6 1
78 {} {0.658309650033 0.411041284796 0.00176416246332} Pt7 1.0 7 1
78 {} {0.158040998789 0.161160149574 0.00148978766668} Pt8 1.0 8 1
78 {} {0.908212861057 0.911130838767 0.00205282567069} Pt9 1.0 9 1
78 {} {0.908003976948 0.661142439401 0.00184586769408} Pt10 1.0 10 1
78 {} {0.65801963389 0.911103323442 0.0018458851483} Pt11 1.0 11 1
78 {} {0.158246240701 0.661064989814 0.00193162755862} Pt12 1.0 12 1
78 {} {0.658227205439 0.16112450238 0.00174132018622} Pt13 1.0 13 1
78 {} {0.408295901235 0.411074257752 0.00204336066599} Pt14 1.0 14 1
78 {} {0.408169625469 0.161001984529 0.00185806606877} Pt15 1.0 15 1
78 {} {0.158236289445 0.410909822847 0.00184944555619} Pt16 1.0 16 1
78 {} {0.741561162352 0.744127234612 0.0807573134637} Pt17 1.0 17 1
78 {} {0.74149568913 0.493982735994 0.0808156023597} Pt18 1.0 18 1
78 {} {0.491206573458 0.744505861881 0.0807768443256} Pt19 1.0 19 1
78 {} {-0.00831128877464 0.494187695252 0.0805768350947} Pt20 1.0 20 1
78 {} {0.491547488483 -0.00594167647241 0.0808788285028} Pt21 1.0 21 1
78 {} {0.241730150083 0.244101645054 0.0807263867348} Pt22 1.0 22 1
78 {} {0.241685581971 -0.00585141313867 0.0806264145051} Pt23 1.0 23 1
78 {} {-0.00831628420621 0.243777956392 0.0806317203322} Pt24 1.0 24 1
78 {} {0.490911377119 0.494571398186 0.0811480121652} Pt25 1.0 25 1
78 {} {0.241288498231 0.743780988421 0.0814446677559} Pt26 1.0 26 1
78 {} {0.241505389281 0.494315330933 0.0811254077218} Pt27 1.0 27 1
78 {} {-0.00789216323559 0.743867639219 0.0811992184676} Pt28 1.0 28 1
78 {} {0.741666209584 0.244013469708 0.0808004777657} Pt29 1.0 29 1
78 {} {0.741564289652 -0.00608446601187 0.0808422004998} Pt30 1.0 30 1
78 {} {0.491428979212 0.244131242069 0.0808836000705} Pt31 1.0 31 1
78 {} {-0.00776360250814 -0.00705007545043 0.0812016930932} Pt32 1.0 32 1
78 {} {0.325737039479 0.326581304103 0.158573718308} Pt33 1.0 33 1
78 {} {0.0749423941345 0.576497136541 0.158601841724} Pt34 1.0 34 1
78 {} {0.0743408934225 0.326503922871 0.158013334802} Pt35 1.0 35 1
78 {} {0.824861994663 0.576224639588 0.158192434585} Pt36 1.0 36 1
78 {} {0.575396400398 0.0771760995171 0.158541290098} Pt37 1.0 37 1
78 {} {0.575188063948 0.826439374176 0.158482711179} Pt38 1.0 38 1
78 {} {0.324885816073 0.0768719449624 0.158420115352} Pt39 1.0 39 1
78 {} {0.824786548206 0.827264500796 0.158526350223} Pt40 1.0 40 1
78 {} {0.57508674215 0.576350036663 0.158692298286} Pt41 1.0 41 1
78 {} {0.575539352291 0.327160684319 0.158616476102} Pt42 1.0 42 1
78 {} {0.324471153319 0.577033905423 0.159583260787} Pt43 1.0 43 1
78 {} {0.824762036929 0.326717932435 0.158755390864} Pt44 1.0 44 1
78 {} {0.325213462005 0.82685162033 0.158676614698} Pt45 1.0 45 1
78 {} {0.0747820771161 0.0765738244797 0.158384471666} Pt46 1.0 46 1
78 {} {0.0762881936348 0.824556186498 0.160158170356} Pt47 1.0 47 1
78 {} {0.825400132344 0.076901555199 0.158419131831} Pt48 1.0 48 1
78 {} {0.411324134239 0.406344172589 0.237712317491} Pt49 1.0 49 1
78 {} {0.409349266734 0.158290390965 0.237611650439} Pt50 1.0 50 1
78 {} {0.158850390748 0.405234657939 0.236272338734} Pt51 1.0 51 1
78 {} {0.658821727794 0.159122499401 0.238001202576} Pt52 1.0 52 1
78 {} {0.158888893564 0.656246991205 0.238817216098} Pt53 1.0 53 1
78 {} {0.906966319683 0.910903123889 0.23755103567} Pt54 1.0 54 1
78 {} {0.905754955863 0.659499142133 0.23661463545} Pt55 1.0 55 1
78 {} {0.657964632652 0.909757364552 0.237539405446} Pt56 1.0 56 1
78 {} {0.158768810875 0.158610449521 0.237540041776} Pt57 1.0 57 1
78 {} {0.908163872141 0.408845509551 0.237655627336} Pt58 1.0 58 1
78 {} {0.908543920221 0.159421926217 0.237720634534} Pt59 1.0 59 1
78 {} {0.658982629078 0.408845959561 0.238759573095} Pt60 1.0 60 1
78 {} {0.408747697205 0.908905137976 0.237545675019} Pt61 1.0 61 1
78 {} {0.410059504564 0.658864001873 0.238019753528} Pt62 1.0 62 1
78 {} {0.15916950642 0.910011978081 0.237763203689} Pt63 1.0 63 1
78 {} {0.658352882706 0.658996081154 0.237680682211} Pt64 1.0 64 1
1 {} {0.625178760553 0.334853318074 0.318231399804} H1 1.0 65 1
1 {} {0.458844408514 0.585914944399 0.311038962375} H2 1.0 66 1
1 {} {0.239351117147 0.533844673362 0.324796620642} H3 1.0 67 1
1 {} {0.137862352019 0.699492214942 0.327601347536} H4 1.0 68 1
8 {} {0.454866948914 0.597047417192 0.346876243428} O1 1.0 69 1
8 {} {0.148550246217 0.61576467869 0.31231436866} O2 1.0 70 1
8 {} {0.62448872219 0.339749294062 0.351968306803} O3 1.0 71 1
8 {} {0.372139933158 0.425512686985 0.354796946756} O4 1.0 72 1
16 {} {0.478574424031 0.458814091496 0.373169716005} 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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