#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 {} {0.658208639884 0.661189268268 0.00144038646112} Pt1 1.0 1 1
78 {} {0.408244279542 0.911451285225 0.00138328406743} Pt2 1.0 2 1
78 {} {0.408231271291 0.661481875906 0.00208901234102} Pt3 1.0 3 1
78 {} {0.158356811931 0.91122855369 0.00212375328402} Pt4 1.0 4 1
78 {} {0.908079989135 0.411202893865 0.00124947818259} Pt5 1.0 5 1
78 {} {0.908333805061 0.161293869385 0.00148459835356} Pt6 1.0 6 1
78 {} {0.658385305954 0.411341979249 0.00163309862115} Pt7 1.0 7 1
78 {} {0.158226211005 0.161324676277 0.00107034772602} Pt8 1.0 8 1
78 {} {0.908447331156 0.911327563081 0.00216290097259} Pt9 1.0 9 1
78 {} {0.908144203726 0.661522002151 0.00163321350583} Pt10 1.0 10 1
78 {} {0.658138685953 0.911371334621 0.00166347493057} Pt11 1.0 11 1
78 {} {0.158388049086 0.661483241925 0.0021251574314} Pt12 1.0 12 1
78 {} {0.658407050535 0.161314067313 0.00157307425505} Pt13 1.0 13 1
78 {} {0.408526325711 0.411392935523 0.00197928966721} Pt14 1.0 14 1
78 {} {0.408379763601 0.161182317352 0.00161863920935} Pt15 1.0 15 1
78 {} {0.158392900811 0.411223964407 0.00149376052469} Pt16 1.0 16 1
78 {} {0.7416816771 0.744147932167 0.0805058990287} Pt17 1.0 17 1
78 {} {0.741545820013 0.49385049512 0.0806288545296} Pt18 1.0 18 1
78 {} {0.491448182158 0.744647977225 0.0806792370853} Pt19 1.0 19 1
78 {} {-0.00834971389368 0.494137634766 0.0801633020161} Pt20 1.0 20 1
78 {} {0.491736661471 -0.0059605231865 0.0807007010227} Pt21 1.0 21 1
78 {} {0.241761436131 0.243936535836 0.0802797096417} Pt22 1.0 22 1
78 {} {0.242030167651 -0.00589005353102 0.0804954786456} Pt23 1.0 23 1
78 {} {-0.00831532187444 0.243323598541 0.080249389787} Pt24 1.0 24 1
78 {} {0.491240948006 0.494570820194 0.0811384538139} Pt25 1.0 25 1
78 {} {0.241489788901 0.743806552991 0.0817342186775} Pt26 1.0 26 1
78 {} {0.241695662459 0.494178415933 0.0809364162946} Pt27 1.0 27 1
78 {} {-0.00778123829066 0.743816787853 0.0813220468962} Pt28 1.0 28 1
78 {} {0.742135709051 0.24364906538 0.0806523716581} Pt29 1.0 29 1
78 {} {0.741718190186 -0.00611601320764 0.0807973350935} Pt30 1.0 30 1
78 {} {0.491975286318 0.243941857065 0.0806735740467} Pt31 1.0 31 1
78 {} {-0.00742923683066 -0.00728427520729 0.0812715293789} Pt32 1.0 32 1
78 {} {0.326082093533 0.325756340298 0.158137493197} Pt33 1.0 33 1
78 {} {0.0752108736338 0.575792307722 0.158342347103} Pt34 1.0 34 1
78 {} {0.0739708110425 0.325889136923 0.157460953518} Pt35 1.0 35 1
78 {} {0.824775043967 0.575938257676 0.157893268882} Pt36 1.0 36 1
78 {} {0.575746709674 0.0770659397587 0.158425349245} Pt37 1.0 37 1
78 {} {0.575373474603 0.826436118795 0.158323461498} Pt38 1.0 38 1
78 {} {0.324967905547 0.0767863343042 0.158211554226} Pt39 1.0 39 1
78 {} {0.824875924787 0.827112108458 0.158463816876} Pt40 1.0 40 1
78 {} {0.575223382124 0.576257956906 0.158629026791} Pt41 1.0 41 1
78 {} {0.576262088889 0.326731523722 0.158515880131} Pt42 1.0 42 1
78 {} {0.324735177077 0.576199425993 0.15948619668} Pt43 1.0 43 1
78 {} {0.82482112292 0.326239695166 0.158662712264} Pt44 1.0 44 1
78 {} {0.325291040228 0.82688909393 0.158688021496} Pt45 1.0 45 1
78 {} {0.0750873959881 0.0758918565506 0.158375937004} Pt46 1.0 46 1
78 {} {0.0763613629612 0.824349592989 0.160305144039} Pt47 1.0 47 1
78 {} {0.8258709674 0.0764449412355 0.1584973694} Pt48 1.0 48 1
78 {} {0.411761810766 0.405092019245 0.237653524042} Pt49 1.0 49 1
78 {} {0.409565283197 0.157459503149 0.237609306094} Pt50 1.0 50 1
78 {} {0.158855352893 0.404477582394 0.235798093143} Pt51 1.0 51 1
78 {} {0.659509673136 0.158577080863 0.238126614602} Pt52 1.0 52 1
78 {} {0.159658062128 0.656068329386 0.23926393817} Pt53 1.0 53 1
78 {} {0.907119766484 0.910317971989 0.237934900774} Pt54 1.0 54 1
78 {} {0.905815673989 0.658933241591 0.236390063962} Pt55 1.0 55 1
78 {} {0.658183599113 0.909327327397 0.237629006046} Pt56 1.0 56 1
78 {} {0.158662234192 0.157839900299 0.2374697464} Pt57 1.0 57 1
78 {} {0.907968825134 0.408554968346 0.237611718273} Pt58 1.0 58 1
78 {} {0.908681341102 0.159106225935 0.238002615123} Pt59 1.0 59 1
78 {} {0.659089309237 0.408672047427 0.238943126313} Pt60 1.0 60 1
78 {} {0.40886102285 0.908627753615 0.23768834627} Pt61 1.0 61 1
78 {} {0.41045533316 0.658494475313 0.238126197399} Pt62 1.0 62 1
78 {} {0.159264467727 0.909661903641 0.238212387554} Pt63 1.0 63 1
78 {} {0.658127792464 0.658939912144 0.237798594358} Pt64 1.0 64 1
1 {} {0.624878260975 0.330867694069 0.317867902534} H1 1.0 65 1
1 {} {0.455727108304 0.590476894519 0.311831727019} H2 1.0 66 1
1 {} {0.236040771557 0.539038394361 0.326227478899} H3 1.0 67 1
1 {} {0.135245855361 0.701154009026 0.330461579137} H4 1.0 68 1
8 {} {0.453873569945 0.596607847401 0.347002891293} O1 1.0 69 1
8 {} {0.147324806527 0.620938404196 0.313413134467} O2 1.0 70 1
8 {} {0.62778741116 0.33918407596 0.352166573332} O3 1.0 71 1
8 {} {0.369328397706 0.427344783599 0.355178571087} O4 1.0 72 1
16 {} {0.478248438482 0.45668781728 0.3720028102} 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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