#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 {} {0.66158829803 0.663236153801 0.00154198917061} Pt1 1.0 1 1
78 {} {0.41158972521 0.913233628747 0.00154068757753} Pt2 1.0 2 1
78 {} {0.41159061629 0.663234744952 0.00154288595257} Pt3 1.0 3 1
78 {} {0.16158911137 0.913236540371 0.00154038370191} Pt4 1.0 4 1
78 {} {0.911589200963 0.413231921269 0.00154211310681} Pt5 1.0 5 1
78 {} {0.911589742396 0.16323402925 0.00154112681976} Pt6 1.0 6 1
78 {} {0.66159068079 0.41323442189 0.00154055262358} Pt7 1.0 7 1
78 {} {0.161586865081 0.163234441043 0.00154102861449} Pt8 1.0 8 1
78 {} {0.911588182978 0.913237100997 0.00154239220201} Pt9 1.0 9 1
78 {} {0.911587396183 0.663235750847 0.00154164546704} Pt10 1.0 10 1
78 {} {0.661588035923 0.9132338211 0.00154185752252} Pt11 1.0 11 1
78 {} {0.161588647115 0.663234868073 0.00154212310644} Pt12 1.0 12 1
78 {} {0.661591911654 0.163232233988 0.00154106377176} Pt13 1.0 13 1
78 {} {0.411591741698 0.41323363579 0.00154266514294} Pt14 1.0 14 1
78 {} {0.411590438211 0.163233333581 0.00154253622921} Pt15 1.0 15 1
78 {} {0.161588886032 0.413233659582 0.00154176708165} Pt16 1.0 16 1
78 {} {0.744924516691 0.746559416052 0.0794781637932} Pt17 1.0 17 1
78 {} {0.744923536996 0.496562181377 0.079476650107} Pt18 1.0 18 1
78 {} {0.494922564511 0.746563212448 0.0794809039314} Pt19 1.0 19 1
78 {} {-0.00506576462552 0.496565413357 0.0794840330598} Pt20 1.0 20 1
78 {} {0.494920661964 -0.00343758616407 0.0794786906853} Pt21 1.0 21 1
78 {} {0.244920806474 0.246573400287 0.0794823409984} Pt22 1.0 22 1
78 {} {0.244925067253 -0.00343631787118 0.0794751647565} Pt23 1.0 23 1
78 {} {-0.00507110551832 0.246575277706 0.0794825474521} Pt24 1.0 24 1
78 {} {0.494914593462 0.496564823953 0.0794807209197} Pt25 1.0 25 1
78 {} {0.244921517255 0.746556958515 0.0794812589149} Pt26 1.0 26 1
78 {} {0.244913796109 0.496564600486 0.0794868521397} Pt27 1.0 27 1
78 {} {-0.00506715002244 0.746545166514 0.0794824255464} Pt28 1.0 28 1
78 {} {0.744918934657 0.246565336363 0.0794771388416} Pt29 1.0 29 1
78 {} {0.744923368455 -0.00343763406414 0.0794780300325} Pt30 1.0 30 1
78 {} {0.494908583617 0.246571244574 0.079481770103} Pt31 1.0 31 1
78 {} {-0.00507291463539 -0.00344976137 0.0794802311747} Pt32 1.0 32 1
78 {} {0.328314982417 0.329511971248 0.157658418556} Pt33 1.0 33 1
78 {} {0.0790064133755 0.579070029729 0.157819707462} Pt34 1.0 34 1
78 {} {0.0788955365828 0.329555237582 0.157545469497} Pt35 1.0 35 1
78 {} {0.828530403695 0.579020249139 0.157119613154} Pt36 1.0 36 1
78 {} {0.578775039514 0.0793932998409 0.157105801056} Pt37 1.0 37 1
78 {} {0.578643752204 0.829114854869 0.157170193414} Pt38 1.0 38 1
78 {} {0.328555799771 0.0790868851002 0.157132104518} Pt39 1.0 39 1
78 {} {0.828541089313 0.829368168491 0.157064915539} Pt40 1.0 40 1
78 {} {0.578640170894 0.578953946714 0.157205834568} Pt41 1.0 41 1
78 {} {0.578684388661 0.329282384273 0.157098703147} Pt42 1.0 42 1
78 {} {0.32831017709 0.579498185941 0.157575236463} Pt43 1.0 43 1
78 {} {0.828769706855 0.328959074055 0.157115231371} Pt44 1.0 44 1
78 {} {0.328494592575 0.82919010829 0.15716637652} Pt45 1.0 45 1
78 {} {0.0782615029543 0.0793446379651 0.157025794798} Pt46 1.0 46 1
78 {} {0.0785456259071 0.829026432289 0.157313450145} Pt47 1.0 47 1
78 {} {0.828606529118 0.0794484034529 0.157165547874} Pt48 1.0 48 1
78 {} {0.414651396231 0.410686436565 0.236254341519} Pt49 1.0 49 1
78 {} {0.413477704002 0.159940258899 0.23626323641} Pt50 1.0 50 1
78 {} {0.162147923172 0.410461104938 0.237294876509} Pt51 1.0 51 1
78 {} {0.662807320385 0.161176005737 0.236644267788} Pt52 1.0 52 1
78 {} {0.161531733889 0.663441080576 0.236849468884} Pt53 1.0 53 1
78 {} {0.911137347598 0.912867463867 0.236315306245} Pt54 1.0 54 1
78 {} {0.910036028559 0.662781437085 0.236130233222} Pt55 1.0 55 1
78 {} {0.662061950686 0.911754451233 0.236478221454} Pt56 1.0 56 1
78 {} {0.16246213621 0.16040068026 0.236297696486} Pt57 1.0 57 1
78 {} {0.91120939003 0.411627428356 0.236377629438} Pt58 1.0 58 1
78 {} {0.912388831674 0.161675051857 0.236587061136} Pt59 1.0 59 1
78 {} {0.663154159135 0.411559264102 0.236760966644} Pt60 1.0 60 1
78 {} {0.412562526466 0.911331184653 0.236503981519} Pt61 1.0 61 1
78 {} {0.413591213852 0.66211124705 0.236791812816} Pt62 1.0 62 1
78 {} {0.162598828209 0.912349471906 0.236394893859} Pt63 1.0 63 1
78 {} {0.662148138048 0.66175090574 0.236600215366} Pt64 1.0 64 1
1 {} {0.560254222242 0.343386854515 0.320935816738} H1 1.0 65 1
1 {} {0.433761960982 0.553481469246 0.315378657225} H2 1.0 66 1
1 {} {0.247740356154 0.494053925949 0.324028006208} H3 1.0 67 1
1 {} {0.121363574966 0.616207545075 0.322896309103} H4 1.0 68 1
8 {} {0.430571935933 0.511289581858 0.340953386792} O1 1.0 69 1
8 {} {0.159772604143 0.528400912214 0.314787651684} O2 1.0 70 1
8 {} {0.588580651347 0.401661169495 0.377005988757} O3 1.0 71 1
8 {} {0.319268876491 0.522435482247 0.384799718311} O4 1.0 72 1
16 {} {0.455117173224 0.454909115738 0.387815490988} 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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