#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 {} {0.661117602859 0.663265628079 0.000657145382163} Pt1 1.0 1 1
78 {} {0.411285554817 0.913203657937 0.000405428320138} Pt2 1.0 2 1
78 {} {0.411374922782 0.663333736865 0.000632451666861} Pt3 1.0 3 1
78 {} {0.161106879007 0.913347834059 0.000617072972462} Pt4 1.0 4 1
78 {} {0.911275703223 0.413093324665 0.000751205396676} Pt5 1.0 5 1
78 {} {0.911579915393 0.162971276298 0.00097360379355} Pt6 1.0 6 1
78 {} {0.661441683978 0.413104528914 0.000703048737393} Pt7 1.0 7 1
78 {} {0.161500475293 0.163348862768 0.000859453886278} Pt8 1.0 8 1
78 {} {0.911095391661 0.913207070426 0.000717073108456} Pt9 1.0 9 1
78 {} {0.910901522188 0.663227613892 0.000526724996295} Pt10 1.0 10 1
78 {} {0.6612246336 0.913031654678 0.000621616311575} Pt11 1.0 11 1
78 {} {0.161062651903 0.663310081174 0.000435854247618} Pt12 1.0 12 1
78 {} {0.661453447464 0.162743983318 0.000830302525144} Pt13 1.0 13 1
78 {} {0.411493223968 0.412904934202 0.000537212132462} Pt14 1.0 14 1
78 {} {0.411243337645 0.163014489424 0.000964585997128} Pt15 1.0 15 1
78 {} {0.161327988739 0.41288415275 0.000805690419786} Pt16 1.0 16 1
78 {} {0.744741101275 0.746135789227 0.0797150578746} Pt17 1.0 17 1
78 {} {0.745121062711 0.496051947711 0.079663849812} Pt18 1.0 18 1
78 {} {0.495016268563 0.746388382262 0.0796129183456} Pt19 1.0 19 1
78 {} {-0.0050745005659 0.496085000848 0.0796304091415} Pt20 1.0 20 1
78 {} {0.495050004881 -0.0039555411978 0.0798102843824} Pt21 1.0 21 1
78 {} {0.245629070697 0.246691132013 0.0804328692057} Pt22 1.0 22 1
78 {} {0.245035087175 -0.00322467504327 0.0795088976887} Pt23 1.0 23 1
78 {} {-0.00423031593532 0.246348058052 0.0799919779733} Pt24 1.0 24 1
78 {} {0.495322139287 0.495790891109 0.079372350831} Pt25 1.0 25 1
78 {} {0.244742712016 0.746321137585 0.0791861696056} Pt26 1.0 26 1
78 {} {0.245200773297 0.495904445384 0.0793388604563} Pt27 1.0 27 1
78 {} {-0.00535960575803 0.746062099632 0.0793729584256} Pt28 1.0 28 1
78 {} {0.745107618952 0.245946687257 0.079714527029} Pt29 1.0 29 1
78 {} {0.744560252004 -0.00375844972574 0.0799090555144} Pt30 1.0 30 1
78 {} {0.49483830242 0.246241289518 0.0799175176068} Pt31 1.0 31 1
78 {} {-0.00522256149295 -0.00351909676222 0.079848408545} Pt32 1.0 32 1
78 {} {0.328905014985 0.329818097597 0.158118916205} Pt33 1.0 33 1
78 {} {0.078006768967 0.579261381536 0.156661577879} Pt34 1.0 34 1
78 {} {0.0790234247333 0.329285118796 0.158026388856} Pt35 1.0 35 1
78 {} {0.828329939254 0.578744118721 0.157353419752} Pt36 1.0 36 1
78 {} {0.578066554533 0.0792065736077 0.157853002719} Pt37 1.0 37 1
78 {} {0.578337188049 0.829316833516 0.157611337952} Pt38 1.0 38 1
78 {} {0.32835283347 0.0795716682237 0.157788562232} Pt39 1.0 39 1
78 {} {0.828043335849 0.830066514043 0.157288741374} Pt40 1.0 40 1
78 {} {0.579390086577 0.578970768798 0.156973371205} Pt41 1.0 41 1
78 {} {0.579860005218 0.328318738074 0.156963068884} Pt42 1.0 42 1
78 {} {0.328718675624 0.580190383103 0.156105491701} Pt43 1.0 43 1
78 {} {0.830345249319 0.327828233489 0.157221681346} Pt44 1.0 44 1
78 {} {0.327023676288 0.831752023856 0.156617077789} Pt45 1.0 45 1
78 {} {0.0785477303982 0.0799398011972 0.157797429487} Pt46 1.0 46 1
78 {} {0.0774862677131 0.83105619058 0.156816383495} Pt47 1.0 47 1
78 {} {0.828629098664 0.0794117591383 0.157742121126} Pt48 1.0 48 1
78 {} {0.411039775505 0.412494086611 0.234437820076} Pt49 1.0 49 1
78 {} {0.411794948007 0.160871906453 0.237263997894} Pt50 1.0 50 1
78 {} {0.158351782758 0.414002499874 0.23673860016} Pt51 1.0 51 1
78 {} {0.662502738913 0.16140610139 0.236701655177} Pt52 1.0 52 1
78 {} {0.16033939688 0.666094943504 0.23385451149} Pt53 1.0 53 1
78 {} {0.911304784057 0.912977909874 0.237005412711} Pt54 1.0 54 1
78 {} {0.909551970569 0.66407007553 0.23562102137} Pt55 1.0 55 1
78 {} {0.661575833486 0.912511500533 0.237052912312} Pt56 1.0 56 1
78 {} {0.161668836479 0.162200378377 0.237317003642} Pt57 1.0 57 1
78 {} {0.911541955225 0.412408213684 0.23700369394} Pt58 1.0 58 1
78 {} {0.912310525226 0.161977901081 0.23717322131} Pt59 1.0 59 1
78 {} {0.665418209043 0.41201168498 0.235080699305} Pt60 1.0 60 1
78 {} {0.411683331839 0.913711609995 0.2369680183} Pt61 1.0 61 1
78 {} {0.412404655457 0.667553852904 0.234152626333} Pt62 1.0 62 1
78 {} {0.161459528784 0.913857217536 0.236829406387} Pt63 1.0 63 1
78 {} {0.662215512924 0.662893064962 0.236974225194} Pt64 1.0 64 1
1 {} {0.540602829783 0.399162888137 0.318641811518} H1 1.0 65 1
1 {} {0.446865100491 0.553650812789 0.30598489486} H2 1.0 66 1
1 {} {0.253131866887 0.495234157153 0.324162258364} H3 1.0 67 1
1 {} {0.106044810528 0.624098728204 0.322260686727} H4 1.0 68 1
8 {} {0.444713201816 0.467047715882 0.311567437608} O1 1.0 69 1
8 {} {0.155069169356 0.522061328279 0.323310388784} O2 1.0 70 1
8 {} {0.589885907377 0.403038415026 0.386815507671} O3 1.0 71 1
8 {} {0.331028357044 0.532402304054 0.404143550304} O4 1.0 72 1
16 {} {0.465630921209 0.4063400098 0.405716875399} 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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