#MD System 2.0

@Title neb0_image03

@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 {} {0.660868780643 0.663046904399 0.000926924167063} Pt1 1.0 1 1
78 {} {0.411057464837 0.912995160269 0.000718039392071} Pt2 1.0 2 1
78 {} {0.41110261978 0.66311893986 0.00102260205289} Pt3 1.0 3 1
78 {} {0.160989991014 0.913026193386 0.000994748198169} Pt4 1.0 4 1
78 {} {0.911027304137 0.41295056174 0.00103729392172} Pt5 1.0 5 1
78 {} {0.911211444031 0.162866156975 0.00117318442322} Pt6 1.0 6 1
78 {} {0.661032362997 0.413049852571 0.000986823592072} Pt7 1.0 7 1
78 {} {0.161045938683 0.163111875901 0.000928671870494} Pt8 1.0 8 1
78 {} {0.911036777138 0.913030734251 0.00118447855119} Pt9 1.0 9 1
78 {} {0.910813960312 0.663079600397 0.000922138394952} Pt10 1.0 10 1
78 {} {0.66092544054 0.913008087513 0.000936211125719} Pt11 1.0 11 1
78 {} {0.16108736101 0.663042405546 0.00098538511795} Pt12 1.0 12 1
78 {} {0.661064000558 0.162908937598 0.00105779934522} Pt13 1.0 13 1
78 {} {0.411196430016 0.412907870599 0.00105741264335} Pt14 1.0 14 1
78 {} {0.411011839154 0.162877427329 0.00101721817514} Pt15 1.0 15 1
78 {} {0.161060245119 0.412871538693 0.000958453341429} Pt16 1.0 16 1
78 {} {0.744420814389 0.746009295292 0.0798747082157} Pt17 1.0 17 1
78 {} {0.744459333267 0.495889952972 0.0799694818145} Pt18 1.0 18 1
78 {} {0.49458250206 0.746101195192 0.0799538783544} Pt19 1.0 19 1
78 {} {-0.00541895504479 0.495934795219 0.07984069072} Pt20 1.0 20 1
78 {} {0.49457710345 -0.00399759129839 0.0799464971908} Pt21 1.0 21 1
78 {} {0.244819406818 0.246181871008 0.0800885045974} Pt22 1.0 22 1
78 {} {0.244673696901 -0.0038333159619 0.0797466051112} Pt23 1.0 23 1
78 {} {-0.00511925270549 0.24613176852 0.0801287258315} Pt24 1.0 24 1
78 {} {0.494678165687 0.49585845343 0.0800129872635} Pt25 1.0 25 1
78 {} {0.244624623217 0.745862444541 0.0799384005501} Pt26 1.0 26 1
78 {} {0.24463560202 0.495840516526 0.0797785920561} Pt27 1.0 27 1
78 {} {-0.0054007100961 0.745819976392 0.079881725201} Pt28 1.0 28 1
78 {} {0.744584913998 0.24600089948 0.0800660704993} Pt29 1.0 29 1
78 {} {0.744351978839 -0.003820175301 0.0800818220619} Pt30 1.0 30 1
78 {} {0.494560716837 0.246015697462 0.0800873603097} Pt31 1.0 31 1
78 {} {-0.00525333486224 -0.00432498729568 0.0802455498798} Pt32 1.0 32 1
78 {} {0.328450915564 0.328613687588 0.157594570128} Pt33 1.0 33 1
78 {} {0.0778073286969 0.578806153229 0.157005185665} Pt34 1.0 34 1
78 {} {0.0780983198855 0.328630090973 0.15777705194} Pt35 1.0 35 1
78 {} {0.82765834041 0.578494893625 0.157401655333} Pt36 1.0 36 1
78 {} {0.578200919741 0.0791310543361 0.157871983211} Pt37 1.0 37 1
78 {} {0.578148174576 0.828802471975 0.157636688157} Pt38 1.0 38 1
78 {} {0.32821200035 0.0787409003585 0.157637525304} Pt39 1.0 39 1
78 {} {0.827725937612 0.829581984855 0.157445647003} Pt40 1.0 40 1
78 {} {0.578664376852 0.578172997226 0.157664089318} Pt41 1.0 41 1
78 {} {0.579353931193 0.328114302021 0.157689671281} Pt42 1.0 42 1
78 {} {0.3287026748 0.578706952456 0.157131341522} Pt43 1.0 43 1
78 {} {0.828436295996 0.328357290017 0.157726531767} Pt44 1.0 44 1
78 {} {0.32765067674 0.829852146653 0.157270122924} Pt45 1.0 45 1
78 {} {0.0779781972375 0.0789571340732 0.157687046246} Pt46 1.0 46 1
78 {} {0.0780328376639 0.829129304976 0.157738095775} Pt47 1.0 47 1
78 {} {0.828024842418 0.0790388142607 0.157930461805} Pt48 1.0 48 1
78 {} {0.412767190941 0.4098825377 0.235135437661} Pt49 1.0 49 1
78 {} {0.412121429031 0.160358870866 0.236954141699} Pt50 1.0 50 1
78 {} {0.160224915053 0.410852222537 0.235725363916} Pt51 1.0 51 1
78 {} {0.662277615068 0.161036967619 0.237449809771} Pt52 1.0 52 1
78 {} {0.161579137529 0.662910340241 0.235017037987} Pt53 1.0 53 1
78 {} {0.910944952175 0.912189990469 0.237070129566} Pt54 1.0 54 1
78 {} {0.909035862269 0.662877726494 0.235550472011} Pt55 1.0 55 1
78 {} {0.661175084482 0.911969662044 0.236872621988} Pt56 1.0 56 1
78 {} {0.161698705913 0.160773356237 0.23686039829} Pt57 1.0 57 1
78 {} {0.910830143634 0.411487888403 0.236912491892} Pt58 1.0 58 1
78 {} {0.911750748832 0.161345820252 0.237022660654} Pt59 1.0 59 1
78 {} {0.66350237029 0.410712254673 0.236817711579} Pt60 1.0 60 1
78 {} {0.41179331586 0.911907092146 0.236862462248} Pt61 1.0 61 1
78 {} {0.412250801775 0.664571166673 0.235514239426} Pt62 1.0 62 1
78 {} {0.161744329331 0.912406583548 0.236966246851} Pt63 1.0 63 1
78 {} {0.661557374418 0.661366028108 0.236996342579} Pt64 1.0 64 1
1 {} {0.541191572412 0.400876777101 0.331435605081} H1 1.0 65 1
1 {} {0.455439337048 0.57332738498 0.305751585515} H2 1.0 66 1
1 {} {0.25212998109 0.496671913476 0.326538791147} H3 1.0 67 1
1 {} {0.110092682318 0.635943601401 0.324996759906} H4 1.0 68 1
8 {} {0.443664923027 0.49577712877 0.319568636976} O1 1.0 69 1
8 {} {0.156002176365 0.537916199998 0.316308582138} O2 1.0 70 1
8 {} {0.591783605576 0.348061989529 0.373878294126} O3 1.0 71 1
8 {} {0.340680610405 0.469860798733 0.399185746746} O4 1.0 72 1
16 {} {0.458470992115 0.48654190671 0.387633152775} 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} {11.0868990909 11.0868990909 29.0524118182 90 90 60.0000018182} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868990909 0 0} {5.54344924077 9.60153643783 0} {0 0 29.0524118182}} {{0.0901965456528 0 0} {-0.0520749960963 0.104149997917 0} {0 0 0.03442055022}}
@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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