#MD System 2.0

@Title neb0_image01

@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 {} {0.665670622459 0.664481438237 0.00109738815999} Pt1 1.0 1 -1
78 {} {0.41533883761 0.914902338019 -0.000198139739883} Pt2 1.0 2 -1
78 {} {0.416092742987 0.664392946854 0.00115131776546} Pt3 1.0 3 -1
78 {} {0.165618950195 0.914753178454 -7.97244940068e-05} Pt4 1.0 4 -1
78 {} {0.915521356022 0.41457673992 -0.000396778045525} Pt5 1.0 5 -1
78 {} {0.915788440772 0.164625627855 -0.00118743188671} Pt6 1.0 6 -1
78 {} {0.665655483539 0.414766655541 0.000411771398603} Pt7 1.0 7 -1
78 {} {0.165542130836 0.164545195159 -0.00154057901953} Pt8 1.0 8 -1
78 {} {0.915646335693 0.91468808447 -3.06054624191e-05} Pt9 1.0 9 -1
78 {} {0.915390958358 0.664692859592 0.000859016947714} Pt10 1.0 10 -1
78 {} {0.665581365377 0.914526097298 0.000102722453615} Pt11 1.0 11 -1
78 {} {0.166185384013 0.663906398492 0.000878787489487} Pt12 1.0 12 -1
78 {} {0.665263620257 0.16512560151 -0.000319718344651} Pt13 1.0 13 -1
78 {} {0.415612222291 0.414548414138 0.00115863392109} Pt14 1.0 14 -1
78 {} {0.415275702268 0.165406270107 -0.00035500184833} Pt15 1.0 15 -1
78 {} {0.166733648731 0.413871163724 -0.00020790507191} Pt16 1.0 16 -1
78 {} {0.748408959644 0.747294556852 0.0804758054395} Pt17 1.0 17 -1
78 {} {0.748290594371 0.498419735204 0.079934131144} Pt18 1.0 18 -1
78 {} {0.498067176583 0.748312634545 0.0799887439812} Pt19 1.0 19 -1
78 {} {-0.000765869648026 0.497896158066 0.0789715387664} Pt20 1.0 20 -1
78 {} {0.498836163036 -0.00224553364265 0.0785780671474} Pt21 1.0 21 -1
78 {} {0.24914166827 0.248198590077 0.0787400054172} Pt22 1.0 22 -1
78 {} {0.248769739642 -0.0022629882765 0.07848236903} Pt23 1.0 23 -1
78 {} {-0.00159614100651 0.247914445295 0.0778136512685} Pt24 1.0 24 -1
78 {} {0.497138355639 0.497696648155 0.0808795994275} Pt25 1.0 25 -1
78 {} {0.248970711083 0.746470853225 0.0799704443701} Pt26 1.0 26 -1
78 {} {0.248769585584 0.497295265228 0.0809100887139} Pt27 1.0 27 -1
78 {} {-0.00128384595862 0.747334371391 0.079621319597} Pt28 1.0 28 -1
78 {} {0.747083977901 0.248484161722 0.0786712681026} Pt29 1.0 29 -1
78 {} {0.748059967286 -0.00258338961857 0.0786541883931} Pt30 1.0 30 -1
78 {} {0.497853294538 0.248245162836 0.0800589643634} Pt31 1.0 31 -1
78 {} {-0.00122980786838 -0.00259778333216 0.0784111291734} Pt32 1.0 32 -1
78 {} {0.332098652239 0.332014516031 0.159279386321} Pt33 1.0 33 -1
78 {} {0.0798143685519 0.581401912845 0.15777723071} Pt34 1.0 34 -1
78 {} {0.080320565298 0.33142876058 0.155648326582} Pt35 1.0 35 -1
78 {} {0.828826826184 0.580573057798 0.158158824852} Pt36 1.0 36 -1
78 {} {0.581466703226 0.0797766233292 0.156535528126} Pt37 1.0 37 -1
78 {} {0.581322044179 0.82961132905 0.157672244065} Pt38 1.0 38 -1
78 {} {0.331714044483 0.0804936874633 0.155626303116} Pt39 1.0 39 -1
78 {} {0.831142664811 0.831018110373 0.157022371003} Pt40 1.0 40 -1
78 {} {0.580859950744 0.580994286192 0.158340708207} Pt41 1.0 41 -1
78 {} {0.578773693366 0.332590670638 0.158765963434} Pt42 1.0 42 -1
78 {} {0.330540652451 0.581142068488 0.15987556839} Pt43 1.0 43 -1
78 {} {0.831105848388 0.330462969865 0.156211936253} Pt44 1.0 44 -1
78 {} {0.331379466213 0.830288705886 0.15732954483} Pt45 1.0 45 -1
78 {} {0.0808419637368 0.0815222259798 0.155541186073} Pt46 1.0 46 -1
78 {} {0.0809110587301 0.83090346515 0.156870331971} Pt47 1.0 47 -1
78 {} {0.830368623452 0.0819943656722 0.155541597201} Pt48 1.0 48 -1
78 {} {0.415354052829 0.412198837965 0.241294859301} Pt49 1.0 49 -1
78 {} {0.414362659345 0.161948530923 0.235757187922} Pt50 1.0 50 -1
78 {} {0.161534916003 0.412626666048 0.235500813516} Pt51 1.0 51 -1
78 {} {0.665004479036 0.161838376868 0.235697497856} Pt52 1.0 52 -1
78 {} {0.159105604575 0.669128786642 0.236778617859} Pt53 1.0 53 -1
78 {} {0.910632606365 0.916809020996 0.235064811538} Pt54 1.0 54 -1
78 {} {0.910626745953 0.663785583966 0.236010252258} Pt55 1.0 55 -1
78 {} {0.663155506945 0.914395122383 0.236179020402} Pt56 1.0 56 -1
78 {} {0.163838183336 0.163784798187 0.235092187668} Pt57 1.0 57 -1
78 {} {0.914798659112 0.41230544001 0.236241865237} Pt58 1.0 58 -1
78 {} {0.915196812439 0.163479348535 0.23511354625} Pt59 1.0 59 -1
78 {} {0.667869342731 0.410469864619 0.23621543197} Pt60 1.0 60 -1
78 {} {0.413212618788 0.9165291831 0.235654485028} Pt61 1.0 61 -1
78 {} {0.413348445334 0.666125615754 0.237570912513} Pt62 1.0 62 -1
78 {} {0.162826942587 0.917658785087 0.235428842304} Pt63 1.0 63 -1
78 {} {0.668150720831 0.662614953404 0.23824442501} Pt64 1.0 64 -1
8 {} {0.462967316947 0.606158282532 0.335793399418} O1 1.0 65 -1
8 {} {0.630636912801 0.347425529169 0.341068279122} O2 1.0 66 -1
8 {} {0.38805001004 0.435563886207 0.313958838431} O3 1.0 67 -1
8 {} {0.145556519058 0.67438626275 0.31251315405} O4 1.0 68 -1
8 {} {0.823225461067 0.449234285701 0.372594127571} O5 1.0 69 -1
16 {} {0.472047222436 0.474277744383 0.349727315594} S1 1.0 70 -1
1 {} {0.584050267831 0.664164841817 0.283127491694} H1 1.0 71 -1
1 {} {0.654493481408 0.347722011696 0.307458076824} H2 1.0 72 -1
1 {} {0.161587213285 0.749910837683 0.321861537028} H3 1.0 73 -1
1 {} {0.237038010845 0.584113538798 0.317736703143} H4 1.0 74 -1
1 {} {0.770544180293 0.401917785524 0.375163981435} H5 1.0 75 -1
1 {} {0.75809563256 0.539747457195 0.359490216476} 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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