#MD System 2.0

@Title neb0_image04

@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 {} {0.660408576736 0.662874116724 0.000857431063725} Pt1 1.0 1 1
78 {} {0.41060520041 0.913009222912 0.000666856514561} Pt2 1.0 2 1
78 {} {0.410628047867 0.663058092841 0.0010681233004} Pt3 1.0 3 1
78 {} {0.160561405264 0.912885897119 0.00129655390073} Pt4 1.0 4 1
78 {} {0.91027390915 0.412820159757 0.000886470302112} Pt5 1.0 5 1
78 {} {0.910797511693 0.162571697771 0.00117450798375} Pt6 1.0 6 1
78 {} {0.660634978731 0.412915330042 0.00105952761145} Pt7 1.0 7 1
78 {} {0.160651272024 0.162684017851 0.000636178779911} Pt8 1.0 8 1
78 {} {0.910612628662 0.912939093007 0.00145705344031} Pt9 1.0 9 1
78 {} {0.910220787529 0.663157762697 0.000804976487876} Pt10 1.0 10 1
78 {} {0.660355055139 0.912962219414 0.000932165992991} Pt11 1.0 11 1
78 {} {0.160622484949 0.663011537808 0.00100300101483} Pt12 1.0 12 1
78 {} {0.660654235635 0.162757979235 0.00106312560302} Pt13 1.0 13 1
78 {} {0.41090204592 0.412764661748 0.00107720289469} Pt14 1.0 14 1
78 {} {0.410729214413 0.162639020524 0.000910548042222} Pt15 1.0 15 1
78 {} {0.160619171397 0.412769839657 0.000691627059014} Pt16 1.0 16 1
78 {} {0.743932098839 0.745745869732 0.079864328504} Pt17 1.0 17 1
78 {} {0.744037277725 0.495336794268 0.080090908533} Pt18 1.0 18 1
78 {} {0.494026009222 0.745994577454 0.0799103498176} Pt19 1.0 19 1
78 {} {-0.00617439856947 0.495586077963 0.0793917418375} Pt20 1.0 20 1
78 {} {0.494155469947 -0.00442448556556 0.0800545069185} Pt21 1.0 21 1
78 {} {0.244205117395 0.245329726321 0.0795908552754} Pt22 1.0 22 1
78 {} {0.244449411646 -0.00437257028271 0.0798923410783} Pt23 1.0 23 1
78 {} {-0.00565054380096 0.244794985166 0.0798839392466} Pt24 1.0 24 1
78 {} {0.494225464232 0.495665438263 0.0800847108106} Pt25 1.0 25 1
78 {} {0.244050528749 0.74542707375 0.0802558691107} Pt26 1.0 26 1
78 {} {0.244243755072 0.495355072979 0.0796415320011} Pt27 1.0 27 1
78 {} {-0.00562387998688 0.745433779291 0.0801585507513} Pt28 1.0 28 1
78 {} {0.744684962831 0.244996434792 0.0801351118882} Pt29 1.0 29 1
78 {} {0.744079273927 -0.00449129491987 0.0802363727924} Pt30 1.0 30 1
78 {} {0.494481464199 0.245359493423 0.0800387727286} Pt31 1.0 31 1
78 {} {-0.00511429810497 -0.00570715569109 0.080762771267} Pt32 1.0 32 1
78 {} {0.328463035009 0.32720299359 0.157183361968} Pt33 1.0 33 1
78 {} {0.0774742108127 0.577482447793 0.156810287009} Pt34 1.0 34 1
78 {} {0.0765947188546 0.32732745492 0.156910587868} Pt35 1.0 35 1
78 {} {0.827301459366 0.577641651114 0.157315594291} Pt36 1.0 36 1
78 {} {0.578068853065 0.0784200902983 0.157947312735} Pt37 1.0 37 1
78 {} {0.577739861283 0.828172055247 0.157790787134} Pt38 1.0 38 1
78 {} {0.327506420973 0.0784013589379 0.157713372746} Pt39 1.0 39 1
78 {} {0.827348985923 0.828917369258 0.157723639077} Pt40 1.0 40 1
78 {} {0.578241702251 0.577697004233 0.157718510677} Pt41 1.0 41 1
78 {} {0.579304553603 0.327654503132 0.157793171427} Pt42 1.0 42 1
78 {} {0.327781602118 0.577502817527 0.157446388194} Pt43 1.0 43 1
78 {} {0.827729477471 0.327318790741 0.158062723152} Pt44 1.0 44 1
78 {} {0.327334623428 0.829086307456 0.157588485124} Pt45 1.0 45 1
78 {} {0.0775690532882 0.0775135124445 0.157992986202} Pt46 1.0 46 1
78 {} {0.0787575769427 0.826242618253 0.159034903681} Pt47 1.0 47 1
78 {} {0.828330453172 0.0776297190163 0.158239652685} Pt48 1.0 48 1
78 {} {0.413735807406 0.407831155832 0.236075089028} Pt49 1.0 49 1
78 {} {0.411732781204 0.159577004051 0.236972151192} Pt50 1.0 50 1
78 {} {0.160633914392 0.407001154156 0.234433104053} Pt51 1.0 51 1
78 {} {0.661913901927 0.160117483588 0.237510756262} Pt52 1.0 52 1
78 {} {0.162239757243 0.658037231227 0.23702076914} Pt53 1.0 53 1
78 {} {0.910528646881 0.910841290567 0.237559013485} Pt54 1.0 54 1
78 {} {0.908834315357 0.661063041975 0.235333234165} Pt55 1.0 55 1
78 {} {0.660736112087 0.911061402048 0.237113354672} Pt56 1.0 56 1
78 {} {0.160934890292 0.159516123133 0.236870929291} Pt57 1.0 57 1
78 {} {0.910201791577 0.410375564165 0.236837510567} Pt58 1.0 58 1
78 {} {0.911071788968 0.160462856804 0.237471125154} Pt59 1.0 59 1
78 {} {0.66155924806 0.410316377884 0.237963623576} Pt60 1.0 60 1
78 {} {0.411297687978 0.910806811906 0.237024809342} Pt61 1.0 61 1
78 {} {0.411971922898 0.66139038262 0.235687703031} Pt62 1.0 62 1
78 {} {0.161376905503 0.911070375025 0.237495963155} Pt63 1.0 63 1
78 {} {0.660806800027 0.660866478607 0.237070714566} Pt64 1.0 64 1
1 {} {0.58483944791 0.351183644093 0.32736431831} H1 1.0 65 1
1 {} {0.454035750608 0.555602849912 0.306047286111} H2 1.0 66 1
1 {} {0.239327562095 0.508864317204 0.331500712334} H3 1.0 67 1
1 {} {0.106258948924 0.654753844454 0.331868766212} H4 1.0 68 1
8 {} {0.430433828288 0.586726016408 0.340088609255} O1 1.0 69 1
8 {} {0.155140351975 0.568788830088 0.313807367418} O2 1.0 70 1
8 {} {0.600844332692 0.342693860337 0.361599457545} O3 1.0 71 1
8 {} {0.343411587648 0.451813435527 0.382641199047} O4 1.0 72 1
16 {} {0.459465286457 0.479496753255 0.383574039794} 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} {11.0868987273 11.0868987273 29.0524125455 90 90 60.0000025455} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868987273 0 0} {5.54344893707 9.60153619328 0} {0 0 29.0524125455}} {{0.0901965486108 0 0} {-0.0520749962776 0.10415000057 0} {0 0 0.0344205493583}}
@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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