#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 {} {0.66021248912 0.662485226182 0.0011552479715} Pt1 1.0 1 1
78 {} {0.410311987818 0.912530699849 0.00106339482772} Pt2 1.0 2 1
78 {} {0.410394031084 0.662481268135 0.00127921547291} Pt3 1.0 3 1
78 {} {0.160275739138 0.912539676388 0.0012631904873} Pt4 1.0 4 1
78 {} {0.910288271972 0.412380656894 0.00122737221507} Pt5 1.0 5 1
78 {} {0.910348758273 0.162454522546 0.00116725770117} Pt6 1.0 6 1
78 {} {0.660371474604 0.412484303513 0.00115667307891} Pt7 1.0 7 1
78 {} {0.160160980096 0.162526212646 0.0010402749002} Pt8 1.0 8 1
78 {} {0.910309776654 0.912529390662 0.00135843561737} Pt9 1.0 9 1
78 {} {0.910182130405 0.662517565692 0.00121652199716} Pt10 1.0 10 1
78 {} {0.660168183567 0.912508964389 0.0012171042134} Pt11 1.0 11 1
78 {} {0.160348883567 0.66243006591 0.00121587047165} Pt12 1.0 12 1
78 {} {0.660343857696 0.16243607021 0.00116260477664} Pt13 1.0 13 1
78 {} {0.41038402236 0.412450487197 0.00133792037537} Pt14 1.0 14 1
78 {} {0.410327632637 0.162418477375 0.00124896426017} Pt15 1.0 15 1
78 {} {0.16032501741 0.412381247565 0.00124550545202} Pt16 1.0 16 1
78 {} {0.743708850166 0.745554743317 0.0802658538894} Pt17 1.0 17 1
78 {} {0.743706465652 0.495543170327 0.0803097316321} Pt18 1.0 18 1
78 {} {0.493492985414 0.745833492281 0.080336941103} Pt19 1.0 19 1
78 {} {-0.00605262553346 0.495617775466 0.0802672595002} Pt20 1.0 20 1
78 {} {0.493651650078 -0.00441235741586 0.0803375038704} Pt21 1.0 21 1
78 {} {0.243760699467 0.245694158557 0.0803149324962} Pt22 1.0 22 1
78 {} {0.243766965627 -0.00424763176853 0.0800980857526} Pt23 1.0 23 1
78 {} {-0.00595785253402 0.245622210011 0.0803765377403} Pt24 1.0 24 1
78 {} {0.493250650977 0.495879189878 0.0804792745913} Pt25 1.0 25 1
78 {} {0.243571715519 0.745328688299 0.0805174325155} Pt26 1.0 26 1
78 {} {0.243581728689 0.495668824637 0.0805231981633} Pt27 1.0 27 1
78 {} {-0.00580587246156 0.745129931608 0.0804827620616} Pt28 1.0 28 1
78 {} {0.743816132954 0.245581563592 0.0802485473585} Pt29 1.0 29 1
78 {} {0.743736296716 -0.00451571127226 0.0803426042083} Pt30 1.0 30 1
78 {} {0.493320111953 0.24577711454 0.0804179706832} Pt31 1.0 31 1
78 {} {-0.00573785911698 -0.00535592515997 0.0806275601668} Pt32 1.0 32 1
78 {} {0.327714595302 0.328421623943 0.158091416995} Pt33 1.0 33 1
78 {} {0.0770986706822 0.578095222261 0.157691248401} Pt34 1.0 34 1
78 {} {0.0771882700518 0.328217993832 0.157841560663} Pt35 1.0 35 1
78 {} {0.827102375854 0.577948747557 0.157698737637} Pt36 1.0 36 1
78 {} {0.577530235794 0.0787156761971 0.157942877936} Pt37 1.0 37 1
78 {} {0.577313636919 0.828131426223 0.157873278049} Pt38 1.0 38 1
78 {} {0.327296226369 0.0782623149101 0.157807546113} Pt39 1.0 39 1
78 {} {0.827077075021 0.828786607504 0.15780937193} Pt40 1.0 40 1
78 {} {0.577470086544 0.577693460692 0.158108268049} Pt41 1.0 41 1
78 {} {0.577905893427 0.328314562958 0.158014424172} Pt42 1.0 42 1
78 {} {0.327343826968 0.578332782633 0.158280582191} Pt43 1.0 43 1
78 {} {0.826909635517 0.328387933541 0.158102526219} Pt44 1.0 44 1
78 {} {0.327290631087 0.82848392021 0.157868312413} Pt45 1.0 45 1
78 {} {0.0769732905098 0.0783672600196 0.157785273149} Pt46 1.0 46 1
78 {} {0.0783222649791 0.826642076772 0.158886714962} Pt47 1.0 47 1
78 {} {0.827204644145 0.0785428492061 0.157944733864} Pt48 1.0 48 1
78 {} {0.413629783211 0.408691198105 0.236987876936} Pt49 1.0 49 1
78 {} {0.411569802416 0.160080697551 0.236815024088} Pt50 1.0 50 1
78 {} {0.16077426811 0.407431633508 0.235551889679} Pt51 1.0 51 1
78 {} {0.661006344621 0.160927768077 0.237533916625} Pt52 1.0 52 1
78 {} {0.161138380726 0.659418666144 0.236944422367} Pt53 1.0 53 1
78 {} {0.909762233673 0.911937298527 0.236937905919} Pt54 1.0 54 1
78 {} {0.908173409391 0.661741898454 0.235834859925} Pt55 1.0 55 1
78 {} {0.660368540781 0.911319044761 0.236809566793} Pt56 1.0 56 1
78 {} {0.16107613103 0.160025873501 0.236799101412} Pt57 1.0 57 1
78 {} {0.910147979001 0.410604498521 0.236877407239} Pt58 1.0 58 1
78 {} {0.910771234293 0.160878719607 0.236879578149} Pt59 1.0 59 1
78 {} {0.661258470969 0.410159273132 0.238078167727} Pt60 1.0 60 1
78 {} {0.411132658978 0.910403069408 0.236812625424} Pt61 1.0 61 1
78 {} {0.411995324855 0.660506193136 0.23725593389} Pt62 1.0 62 1
78 {} {0.161428489855 0.911388159956 0.236887189993} Pt63 1.0 63 1
78 {} {0.660746802256 0.660549533317 0.236888983237} Pt64 1.0 64 1
1 {} {0.601036443647 0.341516809412 0.328391922172} H1 1.0 65 1
1 {} {0.453758959359 0.561501804585 0.306933371206} H2 1.0 66 1
1 {} {0.247049338387 0.50319558594 0.326827606513} H3 1.0 67 1
1 {} {0.119050384872 0.654039357776 0.32580413334} H4 1.0 68 1
8 {} {0.427127230598 0.593799806895 0.340942009376} O1 1.0 69 1
8 {} {0.153909154635 0.564429462073 0.311092594947} O2 1.0 70 1
8 {} {0.600783725699 0.342332626231 0.359204760246} O3 1.0 71 1
8 {} {0.335056784454 0.451363606836 0.383167355335} O4 1.0 72 1
16 {} {0.461107668014 0.478478320716 0.3804745497} 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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