#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 {} {0.662617528928 0.663929898481 0.00123790151313} Pt1 1.0 1 1
78 {} {0.41261735187 0.913928994355 0.00123729732918} Pt2 1.0 2 1
78 {} {0.412618328887 0.663929198906 0.00123828843456} Pt3 1.0 3 1
78 {} {0.162617765962 0.913930682835 0.00123663029329} Pt4 1.0 4 1
78 {} {0.912617835632 0.413927823709 0.00123777512087} Pt5 1.0 5 1
78 {} {0.912617758553 0.163928964256 0.00123707686554} Pt6 1.0 6 1
78 {} {0.662618132986 0.413929230463 0.00123705879475} Pt7 1.0 7 1
78 {} {0.16261674983 0.163928796783 0.00123735811587} Pt8 1.0 8 1
78 {} {0.912617149922 0.913930828228 0.00123779918083} Pt9 1.0 9 1
78 {} {0.912616822891 0.663930102824 0.00123780121164} Pt10 1.0 10 1
78 {} {0.662617562622 0.913928963943 0.00123758212483} Pt11 1.0 11 1
78 {} {0.162617335909 0.663929443346 0.00123797792676} Pt12 1.0 12 1
78 {} {0.662619127036 0.163928138555 0.00123733797985} Pt13 1.0 13 1
78 {} {0.412618857852 0.413928934886 0.00123800222767} Pt14 1.0 14 1
78 {} {0.412618503383 0.163928775953 0.00123801864627} Pt15 1.0 15 1
78 {} {0.16261772949 0.413929038619 0.00123753878935} Pt16 1.0 16 1
78 {} {0.745950396908 0.7472574658 0.079150339575} Pt17 1.0 17 1
78 {} {0.745950033382 0.497259864374 0.0791496557419} Pt18 1.0 18 1
78 {} {0.495950377891 0.747259038256 0.0791514994444} Pt19 1.0 19 1
78 {} {-0.00404523263637 0.497259893744 0.0791531305655} Pt20 1.0 20 1
78 {} {0.495949032227 -0.00274154779578 0.0791502331123} Pt21 1.0 21 1
78 {} {0.245947712242 0.247264388858 0.0791522194535} Pt22 1.0 22 1
78 {} {0.245951201139 -0.00274046390682 0.0791491671422} Pt23 1.0 23 1
78 {} {-0.00404665723636 0.247264847951 0.0791526456488} Pt24 1.0 24 1
78 {} {0.495946989887 0.497260332841 0.0791509440688} Pt25 1.0 25 1
78 {} {0.245949073376 0.747258099136 0.0791511331409} Pt26 1.0 26 1
78 {} {0.245946026108 0.497258994201 0.0791538040381} Pt27 1.0 27 1
78 {} {-0.00404669413907 0.747251978553 0.0791517577362} Pt28 1.0 28 1
78 {} {0.745949356299 0.247259211666 0.0791498556221} Pt29 1.0 29 1
78 {} {0.745949730907 -0.00274081760019 0.0791503386801} Pt30 1.0 30 1
78 {} {0.495943141768 0.247262654448 0.0791518417224} Pt31 1.0 31 1
78 {} {-0.0040490683727 -0.0027442972514 0.0791505790733} Pt32 1.0 32 1
78 {} {0.329181134953 0.330231426365 0.157347399787} Pt33 1.0 33 1
78 {} {0.0800557883641 0.579674100917 0.157520164216} Pt34 1.0 34 1
78 {} {0.0800163399665 0.330348790022 0.15735522618} Pt35 1.0 35 1
78 {} {0.829553278237 0.579806768322 0.156829085566} Pt36 1.0 36 1
78 {} {0.57985153832 0.080107822727 0.156770923657} Pt37 1.0 37 1
78 {} {0.579728818263 0.829856300207 0.15685330807} Pt38 1.0 38 1
78 {} {0.329644745809 0.0797496935055 0.156821555283} Pt39 1.0 39 1
78 {} {0.829649497957 0.830083536564 0.156732299848} Pt40 1.0 40 1
78 {} {0.57969753338 0.579682137704 0.156904959701} Pt41 1.0 41 1
78 {} {0.57986228763 0.329864891862 0.156724547945} Pt42 1.0 42 1
78 {} {0.329416195204 0.580263420374 0.157150599068} Pt43 1.0 43 1
78 {} {0.829866065139 0.329684639843 0.156776110234} Pt44 1.0 44 1
78 {} {0.329545238446 0.829908896782 0.15686055424} Pt45 1.0 45 1
78 {} {0.0793155422588 0.0800910083599 0.156701829493} Pt46 1.0 46 1
78 {} {0.0794967230071 0.829875956355 0.15691205267} Pt47 1.0 47 1
78 {} {0.829671691257 0.080114456125 0.156892232072} Pt48 1.0 48 1
78 {} {0.415722282265 0.41159127169 0.235672353529} Pt49 1.0 49 1
78 {} {0.414744343121 0.160545712761 0.235909713242} Pt50 1.0 50 1
78 {} {0.163298987436 0.411320973961 0.237256120571} Pt51 1.0 51 1
78 {} {0.663899062136 0.161947443925 0.236351532849} Pt52 1.0 52 1
78 {} {0.162761271013 0.664261173172 0.236381283017} Pt53 1.0 53 1
78 {} {0.912427969683 0.913423550773 0.236046838939} Pt54 1.0 54 1
78 {} {0.911195436137 0.663654092971 0.235854992642} Pt55 1.0 55 1
78 {} {0.663247663171 0.912460829151 0.23616005242} Pt56 1.0 56 1
78 {} {0.163568792503 0.160940917315 0.235957165745} Pt57 1.0 57 1
78 {} {0.912072133642 0.412438654844 0.236049652842} Pt58 1.0 58 1
78 {} {0.913432166924 0.162416206455 0.236263570054} Pt59 1.0 59 1
78 {} {0.664150355734 0.41232850338 0.236409017235} Pt60 1.0 60 1
78 {} {0.413670996308 0.912009919742 0.236188334049} Pt61 1.0 61 1
78 {} {0.414478397884 0.662821273261 0.236501152351} Pt62 1.0 62 1
78 {} {0.163624909389 0.91294942133 0.236087627719} Pt63 1.0 63 1
78 {} {0.66317104773 0.662528211779 0.236283053125} Pt64 1.0 64 1
1 {} {0.542822038105 0.345355349655 0.322928789161} H1 1.0 65 1
1 {} {0.426031721776 0.544357619769 0.316164670886} H2 1.0 66 1
1 {} {0.247899953274 0.481768164556 0.323804324816} H3 1.0 67 1
1 {} {0.114624757796 0.593919547466 0.32237465136} H4 1.0 68 1
8 {} {0.422792900148 0.495790043806 0.341417874687} O1 1.0 69 1
8 {} {0.162063977942 0.507485359969 0.314736754184} O2 1.0 70 1
8 {} {0.574872718373 0.415879382499 0.382355791259} O3 1.0 71 1
8 {} {0.316010548247 0.536615379431 0.393976278329} O4 1.0 72 1
16 {} {0.441947376981 0.459149106156 0.391276341356} 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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