#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 {} {0.661965338871 0.663754080275 0.000641564271233} Pt1 1.0 1 1
78 {} {0.412116175149 0.913556758946 0.000521162197824} Pt2 1.0 2 1
78 {} {0.412125944114 0.663713274073 0.000712813134865} Pt3 1.0 3 1
78 {} {0.162083624219 0.913713987816 0.000566088113638} Pt4 1.0 4 1
78 {} {0.912190292287 0.413509895093 0.000705195041393} Pt5 1.0 5 1
78 {} {0.912128943888 0.163636217448 0.000657386384977} Pt6 1.0 6 1
78 {} {0.662124915831 0.413646372031 0.000588073587523} Pt7 1.0 7 1
78 {} {0.161971045532 0.163791620565 0.000655692631335} Pt8 1.0 8 1
78 {} {0.912060545609 0.913730075114 0.000707632561887} Pt9 1.0 9 1
78 {} {0.911975970634 0.663714218828 0.000677841233668} Pt10 1.0 10 1
78 {} {0.662054641156 0.913618511116 0.000618475583738} Pt11 1.0 11 1
78 {} {0.162098394768 0.663694837622 0.000727796251084} Pt12 1.0 12 1
78 {} {0.662200361621 0.163536819737 0.00064553867569} Pt13 1.0 13 1
78 {} {0.412162424193 0.413619049585 0.000717861310353} Pt14 1.0 14 1
78 {} {0.412114416203 0.16359292412 0.000711029849232} Pt15 1.0 15 1
78 {} {0.162080823978 0.413602809525 0.000662202484607} Pt16 1.0 16 1
78 {} {0.745557164918 0.746652977102 0.0797269097006} Pt17 1.0 17 1
78 {} {0.745679599946 0.496754556552 0.0796725158787} Pt18 1.0 18 1
78 {} {0.495518093709 0.746836758511 0.0798685371618} Pt19 1.0 19 1
78 {} {-0.00404906532621 0.496679363911 0.0799254373936} Pt20 1.0 20 1
78 {} {0.495419624195 -0.00322130287249 0.0797142544541} Pt21 1.0 21 1
78 {} {0.245491178972 0.247270137431 0.0799949980385} Pt22 1.0 22 1
78 {} {0.245546380966 -0.00294687020189 0.0795529575636} Pt23 1.0 23 1
78 {} {-0.00391461956712 0.247292275789 0.0800407404617} Pt24 1.0 24 1
78 {} {0.495280215908 0.49691896637 0.0797925414265} Pt25 1.0 25 1
78 {} {0.245610126311 0.74666888369 0.0798238723022} Pt26 1.0 26 1
78 {} {0.245397815089 0.496757510769 0.0798854636356} Pt27 1.0 27 1
78 {} {-0.00422065108656 0.746320533342 0.0797571141212} Pt28 1.0 28 1
78 {} {0.74558531801 0.246849001163 0.0797559605191} Pt29 1.0 29 1
78 {} {0.745477012859 -0.00314789033882 0.0797867511325} Pt30 1.0 30 1
78 {} {0.494967063278 0.247079499716 0.0798223131784} Pt31 1.0 31 1
78 {} {-0.00423434186002 -0.00344952813961 0.0797991723264} Pt32 1.0 32 1
78 {} {0.329037226299 0.329888071621 0.157686882649} Pt33 1.0 33 1
78 {} {0.0790786438122 0.579790965493 0.157291692465} Pt34 1.0 34 1
78 {} {0.0800529174576 0.330007923098 0.158151668328} Pt35 1.0 35 1
78 {} {0.828922098112 0.579316002655 0.157238707705} Pt36 1.0 36 1
78 {} {0.579316257071 0.0799099108026 0.157435335735} Pt37 1.0 37 1
78 {} {0.579161210517 0.829619620376 0.157315459388} Pt38 1.0 38 1
78 {} {0.329248714697 0.079371510053 0.157316854726} Pt39 1.0 39 1
78 {} {0.828996276077 0.830074751003 0.157145794985} Pt40 1.0 40 1
78 {} {0.579223809848 0.579168697946 0.157520930409} Pt41 1.0 41 1
78 {} {0.579619059396 0.329201505129 0.157264491211} Pt42 1.0 42 1
78 {} {0.329692717343 0.579479489811 0.157344391829} Pt43 1.0 43 1
78 {} {0.829303333352 0.329450525094 0.157340207472} Pt44 1.0 44 1
78 {} {0.328971355871 0.829722449081 0.157304244976} Pt45 1.0 45 1
78 {} {0.0789375359625 0.0797984366612 0.157256786764} Pt46 1.0 46 1
78 {} {0.0789279718503 0.829969379953 0.157251708512} Pt47 1.0 47 1
78 {} {0.82889667739 0.0799203058611 0.157482864676} Pt48 1.0 48 1
78 {} {0.414461025871 0.410968030296 0.235201939001} Pt49 1.0 49 1
78 {} {0.413465398042 0.160932371952 0.23625637152} Pt50 1.0 50 1
78 {} {0.161284771229 0.413551542046 0.236810609913} Pt51 1.0 51 1
78 {} {0.663360700428 0.161988904835 0.237108632625} Pt52 1.0 52 1
78 {} {0.162752750463 0.665146696125 0.234945261848} Pt53 1.0 53 1
78 {} {0.912186051937 0.912906636675 0.236377502974} Pt54 1.0 54 1
78 {} {0.910388422539 0.663744690813 0.235418172578} Pt55 1.0 55 1
78 {} {0.662570807565 0.912456384567 0.236262658741} Pt56 1.0 56 1
78 {} {0.163071673682 0.161113714788 0.236309208238} Pt57 1.0 57 1
78 {} {0.911792020767 0.412223934115 0.236340051712} Pt58 1.0 58 1
78 {} {0.91281701194 0.162127949687 0.236320041909} Pt59 1.0 59 1
78 {} {0.663851669959 0.411997631605 0.236691307141} Pt60 1.0 60 1
78 {} {0.41303146989 0.911671128909 0.236288243229} Pt61 1.0 61 1
78 {} {0.413725517195 0.662610066124 0.237182028764} Pt62 1.0 62 1
78 {} {0.163200786282 0.912491885655 0.236285549743} Pt63 1.0 63 1
78 {} {0.662421572157 0.662079391089 0.236371411437} Pt64 1.0 64 1
1 {} {0.524134000278 0.385795140156 0.319467288522} H1 1.0 65 1
1 {} {0.439991935526 0.546119005468 0.312593821641} H2 1.0 66 1
1 {} {0.258788005673 0.481411252282 0.324171476006} H3 1.0 67 1
1 {} {0.106496511435 0.613556834031 0.322551947187} H4 1.0 68 1
8 {} {0.435766080266 0.465574943072 0.317918567614} O1 1.0 69 1
8 {} {0.158555957141 0.50995577019 0.316716780652} O2 1.0 70 1
8 {} {0.586263274776 0.420477121019 0.388291538738} O3 1.0 71 1
8 {} {0.315756160207 0.548319177154 0.398647120368} O4 1.0 72 1
16 {} {0.456080014144 0.424663361194 0.399469930493} 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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