#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 {} {0.658021576512 0.660856579539 0.00196115626811} Pt1 1.0 1 1
78 {} {0.408023114314 0.910977648161 0.00195806554525} Pt2 1.0 2 1
78 {} {0.40811935092 0.660902293772 0.00210709454229} Pt3 1.0 3 1
78 {} {0.158042458397 0.910980752331 0.00210541979905} Pt4 1.0 4 1
78 {} {0.907964001548 0.410819940588 0.00196235317109} Pt5 1.0 5 1
78 {} {0.90797972289 0.161028475649 0.00193184050504} Pt6 1.0 6 1
78 {} {0.6581906803 0.410850631042 0.00198265182404} Pt7 1.0 7 1
78 {} {0.157942923588 0.1609376599 0.00188663767654} Pt8 1.0 8 1
78 {} {0.90799041484 0.910982278904 0.00210950199501} Pt9 1.0 9 1
78 {} {0.907923512649 0.660900657474 0.00206068350363} Pt10 1.0 10 1
78 {} {0.657948573772 0.910898307453 0.00205500887675} Pt11 1.0 11 1
78 {} {0.158063857315 0.66090926063 0.00202798718773} Pt12 1.0 12 1
78 {} {0.658101501257 0.160920883131 0.00197559477345} Pt13 1.0 13 1
78 {} {0.40814233957 0.410852185112 0.0021250787842} Pt14 1.0 14 1
78 {} {0.408009105737 0.160858890884 0.00207030356933} Pt15 1.0 15 1
78 {} {0.158034056516 0.410764288677 0.00206816323466} Pt16 1.0 16 1
78 {} {0.741390694811 0.744129133341 0.0809614947405} Pt17 1.0 17 1
78 {} {0.741436568864 0.494008931372 0.0809628941342} Pt18 1.0 18 1
78 {} {0.491156042882 0.744404772645 0.0809331556922} Pt19 1.0 19 1
78 {} {-0.0083187926134 0.494199124281 0.0809266439955} Pt20 1.0 20 1
78 {} {0.491367039409 -0.00591920385812 0.0810191684285} Pt21 1.0 21 1
78 {} {0.241596694478 0.244187347288 0.080996123045} Pt22 1.0 22 1
78 {} {0.241475535945 -0.00584317362137 0.0808357432015} Pt23 1.0 23 1
78 {} {-0.00843190218505 0.243993505249 0.0808813641519} Pt24 1.0 24 1
78 {} {0.490792437513 0.494374938593 0.0811825525748} Pt25 1.0 25 1
78 {} {0.241235426368 0.743673558665 0.0812979443187} Pt26 1.0 26 1
78 {} {0.241266662675 0.494266988455 0.0812667803897} Pt27 1.0 27 1
78 {} {-0.00811143516786 0.743722399999 0.0811997710091} Pt28 1.0 28 1
78 {} {0.741312188426 0.244145621058 0.0809790813123} Pt29 1.0 29 1
78 {} {0.741381881918 -0.00608213689218 0.0809704951541} Pt30 1.0 30 1
78 {} {0.491095325135 0.244202377922 0.0810454532053} Pt31 1.0 31 1
78 {} {-0.00818868542421 -0.00664022816712 0.0811538062272} Pt32 1.0 32 1
78 {} {0.325306969834 0.326900628068 0.158761187163} Pt33 1.0 33 1
78 {} {0.0749757627765 0.576691649927 0.158657290295} Pt34 1.0 34 1
78 {} {0.0747376402029 0.326775891216 0.158248297322} Pt35 1.0 35 1
78 {} {0.824948290265 0.576248432799 0.158267900237} Pt36 1.0 36 1
78 {} {0.57513335546 0.0770321643381 0.158447670728} Pt37 1.0 37 1
78 {} {0.57495211402 0.826442038622 0.158438559967} Pt38 1.0 38 1
78 {} {0.324777794705 0.0768090925348 0.158371751015} Pt39 1.0 39 1
78 {} {0.824733856702 0.827022808882 0.158439426377} Pt40 1.0 40 1
78 {} {0.575139684972 0.576213919288 0.158517348669} Pt41 1.0 41 1
78 {} {0.574976891799 0.327193720569 0.158585714311} Pt42 1.0 42 1
78 {} {0.324215614351 0.577169058232 0.159329914652} Pt43 1.0 43 1
78 {} {0.824752338345 0.326686232717 0.158615005004} Pt44 1.0 44 1
78 {} {0.324929511546 0.826838645538 0.158468599594} Pt45 1.0 45 1
78 {} {0.0746001815107 0.0768022149417 0.158311926246} Pt46 1.0 46 1
78 {} {0.0759552516672 0.82498649992 0.159525483568} Pt47 1.0 47 1
78 {} {0.824940799029 0.0771106344017 0.158304703406} Pt48 1.0 48 1
78 {} {0.410884550252 0.407069235094 0.237845222536} Pt49 1.0 49 1
78 {} {0.408997619592 0.1584091121 0.237498286531} Pt50 1.0 50 1
78 {} {0.158706781287 0.406249112157 0.236781319587} Pt51 1.0 51 1
78 {} {0.658646777758 0.159013856566 0.237844392292} Pt52 1.0 52 1
78 {} {0.157936052351 0.657648979132 0.238996112731} Pt53 1.0 53 1
78 {} {0.906775807528 0.910945153746 0.237295585317} Pt54 1.0 54 1
78 {} {0.905867934489 0.659641268313 0.236815351339} Pt55 1.0 55 1
78 {} {0.657934558111 0.909486710192 0.237501356667} Pt56 1.0 56 1
78 {} {0.158657811499 0.158803701511 0.237469894231} Pt57 1.0 57 1
78 {} {0.908245547944 0.408807788783 0.237522735239} Pt58 1.0 58 1
78 {} {0.90860170869 0.159258353504 0.237621299981} Pt59 1.0 59 1
78 {} {0.659078461473 0.408695818538 0.238463925875} Pt60 1.0 60 1
78 {} {0.408683525089 0.908965310116 0.237506929588} Pt61 1.0 61 1
78 {} {0.410236331412 0.658994895874 0.238017382096} Pt62 1.0 62 1
78 {} {0.158975504976 0.910190584815 0.237526642549} Pt63 1.0 63 1
78 {} {0.65855167196 0.658973541524 0.237613733349} Pt64 1.0 64 1
1 {} {0.624410292947 0.337328195795 0.317888061426} H1 1.0 65 1
1 {} {0.460454797524 0.582860658237 0.312183425022} H2 1.0 66 1
1 {} {0.241164019942 0.536095233512 0.32428629805} H3 1.0 67 1
1 {} {0.142695821453 0.696450456569 0.325752344495} H4 1.0 68 1
8 {} {0.457871361786 0.596560250799 0.346569577683} O1 1.0 69 1
8 {} {0.148991118115 0.612122657508 0.313245797282} O2 1.0 70 1
8 {} {0.627874575705 0.340284548937 0.352548040242} O3 1.0 71 1
8 {} {0.368140525289 0.429182795765 0.353196666527} O4 1.0 72 1
16 {} {0.477752087414 0.458092874345 0.371500198449} 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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