#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 {} {0.664721814355 0.661831915642 0.00107722856242} Pt1 1.0 1 -1
78 {} {0.414108937748 0.91256107962 -6.81695952933e-05} Pt2 1.0 2 -1
78 {} {0.414814297311 0.662005934188 0.000936653183935} Pt3 1.0 3 -1
78 {} {0.164390933019 0.912466983373 0.000311242401241} Pt4 1.0 4 -1
78 {} {0.91434434053 0.411920005515 0.000294421447951} Pt5 1.0 5 -1
78 {} {0.914582997896 0.162338222268 -0.000479344721608} Pt6 1.0 6 -1
78 {} {0.664721549005 0.412094542425 0.000461553640035} Pt7 1.0 7 -1
78 {} {0.164094002991 0.162213829341 -0.000827107029854} Pt8 1.0 8 -1
78 {} {0.914363486851 0.912237755671 0.000123735466496} Pt9 1.0 9 -1
78 {} {0.914164035515 0.662199536686 0.00106787208224} Pt10 1.0 10 -1
78 {} {0.664604142945 0.911732587619 0.000254237696766} Pt11 1.0 11 -1
78 {} {0.164831032235 0.661503846781 0.00103620936879} Pt12 1.0 12 -1
78 {} {0.664373929466 0.162499065075 -0.000349542460339} Pt13 1.0 13 -1
78 {} {0.41415005704 0.411526688935 0.000140674725842} Pt14 1.0 14 -1
78 {} {0.4139127432 0.16270034371 -0.000135769362064} Pt15 1.0 15 -1
78 {} {0.165219022652 0.411512122326 0.000146012610251} Pt16 1.0 16 -1
78 {} {0.747689430388 0.745065768121 0.0802919622711} Pt17 1.0 17 -1
78 {} {0.746725060149 0.495755391199 0.0802207376595} Pt18 1.0 18 -1
78 {} {0.49732250079 0.745326431009 0.0797623832783} Pt19 1.0 19 -1
78 {} {-0.00111824753837 0.49542530466 0.0792040585497} Pt20 1.0 20 -1
78 {} {0.497541939693 -0.0041573939176 0.0785099209806} Pt21 1.0 21 -1
78 {} {0.24837779419 0.246169497516 0.0793095486968} Pt22 1.0 22 -1
78 {} {0.247686612617 -0.0040372220227 0.0788509532367} Pt23 1.0 23 -1
78 {} {-0.00243560444978 0.245671293981 0.0787019896441} Pt24 1.0 24 -1
78 {} {0.495828941764 0.495148405458 0.0799360217711} Pt25 1.0 25 -1
78 {} {0.247442503035 0.744746902267 0.0797981696616} Pt26 1.0 26 -1
78 {} {0.248135487736 0.494929151179 0.0807605209226} Pt27 1.0 27 -1
78 {} {-0.00215104847096 0.745140082434 0.0798977710834} Pt28 1.0 28 -1
78 {} {0.746581168493 0.246013565837 0.0789673441772} Pt29 1.0 29 -1
78 {} {0.747228049359 -0.00471667517757 0.0787623928775} Pt30 1.0 30 -1
78 {} {0.49699742054 0.246172771514 0.0796672065927} Pt31 1.0 31 -1
78 {} {-0.00238380970648 -0.00471191409679 0.0788786732047} Pt32 1.0 32 -1
78 {} {0.332094289697 0.331034982447 0.15964050295} Pt33 1.0 33 -1
78 {} {0.0798477897232 0.579347425069 0.158161773166} Pt34 1.0 34 -1
78 {} {0.0816098512683 0.328510992957 0.156112141237} Pt35 1.0 35 -1
78 {} {0.828568010639 0.579112353952 0.157668497451} Pt36 1.0 36 -1
78 {} {0.580455157547 0.0787549762739 0.156287114391} Pt37 1.0 37 -1
78 {} {0.580107662526 0.828177996307 0.157166138748} Pt38 1.0 38 -1
78 {} {0.330377802605 0.079551677418 0.156231386105} Pt39 1.0 39 -1
78 {} {0.830355046502 0.828983355668 0.157086811399} Pt40 1.0 40 -1
78 {} {0.581398502876 0.579710877403 0.158320844331} Pt41 1.0 41 -1
78 {} {0.577713189342 0.331460762167 0.158333302434} Pt42 1.0 42 -1
78 {} {0.329477200539 0.579467439348 0.159305031494} Pt43 1.0 43 -1
78 {} {0.829743716588 0.328024289379 0.15662605304} Pt44 1.0 44 -1
78 {} {0.329677574499 0.829385613098 0.156639505602} Pt45 1.0 45 -1
78 {} {0.079795605385 0.0797640218492 0.156272916334} Pt46 1.0 46 -1
78 {} {0.0805360928155 0.828560039081 0.157295780992} Pt47 1.0 47 -1
78 {} {0.82956403938 0.0800479697027 0.155961934656} Pt48 1.0 48 -1
78 {} {0.414344955464 0.414829479209 0.242426571124} Pt49 1.0 49 -1
78 {} {0.412767595967 0.162432951605 0.235823300431} Pt50 1.0 50 -1
78 {} {0.162125057726 0.410811472971 0.236248756543} Pt51 1.0 51 -1
78 {} {0.663343129903 0.162276420068 0.235577512396} Pt52 1.0 52 -1
78 {} {0.157398322596 0.667229724758 0.237495563169} Pt53 1.0 53 -1
78 {} {0.909429381388 0.916265145863 0.235235112186} Pt54 1.0 54 -1
78 {} {0.910403657535 0.662507828362 0.23594646872} Pt55 1.0 55 -1
78 {} {0.661608914042 0.914766285697 0.235383297187} Pt56 1.0 56 -1
78 {} {0.163131451491 0.162039854573 0.23598710946} Pt57 1.0 57 -1
78 {} {0.912936290816 0.412703336691 0.234435857024} Pt58 1.0 58 -1
78 {} {0.913115989654 0.162981380647 0.235888189451} Pt59 1.0 59 -1
78 {} {0.664986475528 0.413267388593 0.236463519123} Pt60 1.0 60 -1
78 {} {0.412259780562 0.914807336693 0.235462575721} Pt61 1.0 61 -1
78 {} {0.41463707517 0.665716373087 0.235454343242} Pt62 1.0 62 -1
78 {} {0.162310844931 0.91547307916 0.235480839628} Pt63 1.0 63 -1
78 {} {0.66176492072 0.666158856458 0.241311830612} Pt64 1.0 64 -1
8 {} {0.478108305186 0.596770296028 0.358492627418} O1 1.0 65 -1
8 {} {0.63270210922 0.343937674788 0.341573085415} O2 1.0 66 -1
8 {} {0.385337684169 0.461168908181 0.31594769658} O3 1.0 67 -1
8 {} {0.143152585065 0.673563745974 0.311674241814} O4 1.0 68 -1
8 {} {0.795599764884 0.509089890922 0.358740578573} O5 1.0 69 -1
16 {} {0.4781581143 0.464133328986 0.357896045292} S1 1.0 70 -1
1 {} {0.655062979173 0.692902025888 0.293667953664} H1 1.0 71 -1
1 {} {0.639904229238 0.350343925986 0.306738934947} H2 1.0 72 -1
1 {} {0.129859344302 0.763433112486 0.321752054304} H3 1.0 73 -1
1 {} {0.246023322661 0.594766719505 0.318682843347} H4 1.0 74 -1
1 {} {0.710580817258 0.500887481831 0.356806869848} H5 1.0 75 -1
1 {} {0.860989922796 0.427775216023 0.340826901959} H6 1.0 76 -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} {11.0869 11.0869 29.05241 90 90 60} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0869 0 0} {5.54345 9.60153704922 0} {0 0 29.05241}} {{0.0901965382569 0 0} {-0.0520749956426 0.104149991285 0} {0 0 0.0344205523741}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@end
@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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