#MD System 2.0

@Title neb0_image05

@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 {} {0.658104058033 0.660941287915 0.00173135006273} Pt1 1.0 1 1
78 {} {0.408119125816 0.911139992479 0.00170853518397} Pt2 1.0 2 1
78 {} {0.408228360301 0.661026461052 0.00199955194548} Pt3 1.0 3 1
78 {} {0.15813455566 0.911071345087 0.00200831123475} Pt4 1.0 4 1
78 {} {0.908035541094 0.41091879241 0.00171955832211} Pt5 1.0 5 1
78 {} {0.908064085927 0.161172813431 0.00171057616086} Pt6 1.0 6 1
78 {} {0.658293618023 0.410979684171 0.00179167229611} Pt7 1.0 7 1
78 {} {0.158010894224 0.161098918109 0.00158046414687} Pt8 1.0 8 1
78 {} {0.90814089874 0.911095189196 0.00202725784116} Pt9 1.0 9 1
78 {} {0.907981841052 0.661062644951 0.00188136976253} Pt10 1.0 10 1
78 {} {0.658000970225 0.911041436187 0.00187669937332} Pt11 1.0 11 1
78 {} {0.158198524651 0.661014925952 0.00191035095527} Pt12 1.0 12 1
78 {} {0.658201428742 0.161067187655 0.00177469781961} Pt13 1.0 13 1
78 {} {0.408257674744 0.411002380845 0.00203294490067} Pt14 1.0 14 1
78 {} {0.408122150936 0.160961217703 0.00189327328863} Pt15 1.0 15 1
78 {} {0.158177900257 0.410858168699 0.00189119006378} Pt16 1.0 16 1
78 {} {0.741520992192 0.74413160547 0.0808493796841} Pt17 1.0 17 1
78 {} {0.741504177493 0.493994343417 0.0808839483881} Pt18 1.0 18 1
78 {} {0.491183717376 0.744489270995 0.0808458064088} Pt19 1.0 19 1
78 {} {-0.00827560294041 0.494196786356 0.0807180148982} Pt20 1.0 20 1
78 {} {0.491494497205 -0.00592050875122 0.0809496279596} Pt21 1.0 21 1
78 {} {0.24171393639 0.244150592392 0.0808484286114} Pt22 1.0 22 1
78 {} {0.241620448006 -0.00582709348894 0.0807041882479} Pt23 1.0 23 1
78 {} {-0.00831599877531 0.24387156987 0.0807405032865} Pt24 1.0 24 1
78 {} {0.490834660441 0.494527225723 0.0811872921487} Pt25 1.0 25 1
78 {} {0.241271886259 0.743718781731 0.0814163253087} Pt26 1.0 26 1
78 {} {0.241432450017 0.494307848444 0.0812123072564} Pt27 1.0 27 1
78 {} {-0.00792171139408 0.743802181396 0.0812223625329} Pt28 1.0 28 1
78 {} {0.741536823391 0.244082775091 0.0808804810516} Pt29 1.0 29 1
78 {} {0.741518895777 -0.00609457118448 0.0809008857018} Pt30 1.0 30 1
78 {} {0.491283413577 0.244179553871 0.0809660316939} Pt31 1.0 31 1
78 {} {-0.00787185453317 -0.0069532785245 0.0812099828869} Pt32 1.0 32 1
78 {} {0.325592510213 0.326718796537 0.158669114593} Pt33 1.0 33 1
78 {} {0.0749285801307 0.576585130263 0.158630575516} Pt34 1.0 34 1
78 {} {0.0744909543224 0.326623042879 0.15813238403} Pt35 1.0 35 1
78 {} {0.824909205947 0.576251610745 0.158252960023} Pt36 1.0 36 1
78 {} {0.575314498757 0.0771505414799 0.158541331259} Pt37 1.0 37 1
78 {} {0.575120273636 0.826440106579 0.158499812128} Pt38 1.0 38 1
78 {} {0.324864288691 0.0768642332088 0.158435173468} Pt39 1.0 39 1
78 {} {0.824791113495 0.827203287409 0.158530285701} Pt40 1.0 40 1
78 {} {0.575132037125 0.576298157174 0.15866948746} Pt41 1.0 41 1
78 {} {0.575370725169 0.327184805981 0.158639003078} Pt42 1.0 42 1
78 {} {0.324358712977 0.577160396731 0.159542441429} Pt43 1.0 43 1
78 {} {0.824754417736 0.326756137281 0.15875151829} Pt44 1.0 44 1
78 {} {0.325143474188 0.826856417107 0.158639777816} Pt45 1.0 45 1
78 {} {0.0747206623898 0.0767008895109 0.158382571814} Pt46 1.0 46 1
78 {} {0.0762532220457 0.824617234682 0.16002133142} Pt47 1.0 47 1
78 {} {0.82524036059 0.0769954544619 0.158407420587} Pt48 1.0 48 1
78 {} {0.411161967952 0.406619449462 0.237708632327} Pt49 1.0 49 1
78 {} {0.409227955138 0.158426291008 0.237557335137} Pt50 1.0 50 1
78 {} {0.158864386433 0.405527713491 0.236390220333} Pt51 1.0 51 1
78 {} {0.658718552719 0.159148474267 0.237939129828} Pt52 1.0 52 1
78 {} {0.158597863444 0.656510807272 0.238886748063} Pt53 1.0 53 1
78 {} {0.906937089366 0.910935668626 0.237438682361} Pt54 1.0 54 1
78 {} {0.90580965979 0.659566289133 0.236651811589} Pt55 1.0 55 1
78 {} {0.657963547946 0.909704413685 0.23750234466} Pt56 1.0 56 1
78 {} {0.158755382091 0.15874481109 0.237503617663} Pt57 1.0 57 1
78 {} {0.908215422702 0.408851279436 0.237596396067} Pt58 1.0 58 1
78 {} {0.908553370078 0.159399788774 0.237655107879} Pt59 1.0 59 1
78 {} {0.658986063433 0.408826510205 0.238643036578} Pt60 1.0 60 1
78 {} {0.408736271266 0.908943769963 0.237504786444} Pt61 1.0 61 1
78 {} {0.410102691624 0.658840918298 0.238042870996} Pt62 1.0 62 1
78 {} {0.159108990758 0.910074495729 0.237656330244} Pt63 1.0 63 1
78 {} {0.65844979929 0.65898492986 0.237630656257} Pt64 1.0 64 1
1 {} {0.625202346972 0.335531136146 0.317994985559} H1 1.0 65 1
1 {} {0.459366665904 0.584698570393 0.311532112926} H2 1.0 66 1
1 {} {0.239777186997 0.534122624433 0.324541085311} H3 1.0 67 1
1 {} {0.138962005334 0.698644565862 0.326962417497} H4 1.0 68 1
8 {} {0.455727880526 0.597884618819 0.346599697456} O1 1.0 69 1
8 {} {0.148810111366 0.614634592983 0.312447712675} O2 1.0 70 1
8 {} {0.624069923755 0.33991057459 0.352234906308} O3 1.0 71 1
8 {} {0.372590900837 0.424977384734 0.354587844661} O4 1.0 72 1
16 {} {0.477880727074 0.459293979366 0.372754337712} 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} {11.0868983636 11.0868983636 29.0524132727 90 90 60.0000032727} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868983636 0 0} {5.54344863338 9.60153594873 0} {0 0 29.0524132727}} {{0.0901965515697 0 0} {-0.0520749964593 0.104150003222 0} {0 0 0.0344205484967}}
@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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