#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 {} {0.661434705499 0.663463446481 0.000699503579941} Pt1 1.0 1 1
78 {} {0.411581483233 0.91338111492 0.000461576100461} Pt2 1.0 2 1
78 {} {0.411679166262 0.663547824573 0.000769663293529} Pt3 1.0 3 1
78 {} {0.161534380332 0.913470158337 0.00064975210806} Pt4 1.0 4 1
78 {} {0.911702308916 0.413251652504 0.000780776303199} Pt5 1.0 5 1
78 {} {0.911818314104 0.163269153583 0.000911026026205} Pt6 1.0 6 1
78 {} {0.661698765355 0.413389620531 0.000725158181602} Pt7 1.0 7 1
78 {} {0.161685672057 0.163598720202 0.000776730346259} Pt8 1.0 8 1
78 {} {0.911529783174 0.913444048533 0.000775207891423} Pt9 1.0 9 1
78 {} {0.911334525983 0.663418720747 0.000651108216613} Pt10 1.0 10 1
78 {} {0.661567213278 0.91328745181 0.000653389522209} Pt11 1.0 11 1
78 {} {0.161540548748 0.663517899167 0.000675456688744} Pt12 1.0 12 1
78 {} {0.661772541369 0.163126961408 0.000812312986653} Pt13 1.0 13 1
78 {} {0.411761738812 0.413241366905 0.000668898444849} Pt14 1.0 14 1
78 {} {0.411526867569 0.163242461245 0.00086752469425} Pt15 1.0 15 1
78 {} {0.161611957876 0.413182206933 0.000797924348318} Pt16 1.0 16 1
78 {} {0.745015087821 0.746334900995 0.0796786861598} Pt17 1.0 17 1
78 {} {0.745139977961 0.496392479317 0.079703557467} Pt18 1.0 18 1
78 {} {0.495220708009 0.746525747537 0.0797593573039} Pt19 1.0 19 1
78 {} {-0.00466459801185 0.49625886651 0.0797543657747} Pt20 1.0 20 1
78 {} {0.495177181681 -0.00363426441442 0.0797187726903} Pt21 1.0 21 1
78 {} {0.24561765816 0.246887077886 0.0802650922504} Pt22 1.0 22 1
78 {} {0.24532804956 -0.00330836266174 0.0795297499848} Pt23 1.0 23 1
78 {} {-0.00413962686654 0.246682729969 0.0799883827107} Pt24 1.0 24 1
78 {} {0.495406648448 0.496179835139 0.0796168999306} Pt25 1.0 25 1
78 {} {0.245244967561 0.746423699068 0.0795137708902} Pt26 1.0 26 1
78 {} {0.245380397289 0.496224185316 0.0795365235108} Pt27 1.0 27 1
78 {} {-0.00492655947854 0.746200731331 0.0795138546606} Pt28 1.0 28 1
78 {} {0.745229143978 0.246415457885 0.0797522415889} Pt29 1.0 29 1
78 {} {0.744867807072 -0.00343291830767 0.0798313938745} Pt30 1.0 30 1
78 {} {0.494968657608 0.246541407237 0.0798302762296} Pt31 1.0 31 1
78 {} {-0.00484762346737 -0.00343438079854 0.0798007725347} Pt32 1.0 32 1
78 {} {0.329097792532 0.329810691643 0.157916177928} Pt33 1.0 33 1
78 {} {0.0784887523491 0.579457673234 0.156875516144} Pt34 1.0 34 1
78 {} {0.0793568177689 0.329485916167 0.158055106516} Pt35 1.0 35 1
78 {} {0.828361392039 0.578968212105 0.157267173113} Pt36 1.0 36 1
78 {} {0.57853235813 0.079512798123 0.157678142008} Pt37 1.0 37 1
78 {} {0.578712467923 0.829404542643 0.157438572649} Pt38 1.0 38 1
78 {} {0.328748577079 0.0792111976779 0.157537968728} Pt39 1.0 39 1
78 {} {0.828397296129 0.830118973412 0.157182486574} Pt40 1.0 40 1
78 {} {0.57925602526 0.578860703213 0.157369393159} Pt41 1.0 41 1
78 {} {0.579887144658 0.328464599468 0.157182206321} Pt42 1.0 42 1
78 {} {0.32922186108 0.579917260419 0.156636373175} Pt43 1.0 43 1
78 {} {0.829753108285 0.328575182704 0.157292960726} Pt44 1.0 44 1
78 {} {0.327962834621 0.830591695898 0.157005763645} Pt45 1.0 45 1
78 {} {0.0788080401352 0.0797561259467 0.157555422267} Pt46 1.0 46 1
78 {} {0.0779441038319 0.830791342437 0.156955814459} Pt47 1.0 47 1
78 {} {0.828788049109 0.079647226582 0.157609011711} Pt48 1.0 48 1
78 {} {0.412042369729 0.412028319305 0.234592636775} Pt49 1.0 49 1
78 {} {0.412493755333 0.16045150186 0.236925034988} Pt50 1.0 50 1
78 {} {0.159209475538 0.413772626572 0.236746064745} Pt51 1.0 51 1
78 {} {0.663137206657 0.161220220615 0.23697572892} Pt52 1.0 52 1
78 {} {0.161131294574 0.665919141129 0.234276964562} Pt53 1.0 53 1
78 {} {0.911714289308 0.912886044584 0.236858229514} Pt54 1.0 54 1
78 {} {0.909616998901 0.664019696486 0.235548499375} Pt55 1.0 55 1
78 {} {0.661892748632 0.912371697984 0.23677792205} Pt56 1.0 56 1
78 {} {0.162338317067 0.161639429403 0.236950750126} Pt57 1.0 57 1
78 {} {0.911577139923 0.412280624348 0.236859668241} Pt58 1.0 58 1
78 {} {0.912604326171 0.161932412121 0.23688128714} Pt59 1.0 59 1
78 {} {0.665079176662 0.411753338915 0.235968444425} Pt60 1.0 60 1
78 {} {0.412302319837 0.912704123704 0.236787432933} Pt61 1.0 61 1
78 {} {0.413104078778 0.666019824315 0.235433335207} Pt62 1.0 62 1
78 {} {0.162194902811 0.913280334593 0.23675080173} Pt63 1.0 63 1
78 {} {0.662337236057 0.662357752414 0.236861390067} Pt64 1.0 64 1
1 {} {0.536768833147 0.391335174108 0.318212682972} H1 1.0 65 1
1 {} {0.446117424481 0.551698256295 0.309478557528} H2 1.0 66 1
1 {} {0.254639613589 0.489813708863 0.323913310443} H3 1.0 67 1
1 {} {0.107386413906 0.619221652523 0.32225661383} H4 1.0 68 1
8 {} {0.438324953352 0.464836026631 0.313366574309} O1 1.0 69 1
8 {} {0.156823991521 0.517057831135 0.320473049874} O2 1.0 70 1
8 {} {0.587211266175 0.41215919434 0.387562770359} O3 1.0 71 1
8 {} {0.325044297013 0.539220619068 0.401788978659} O4 1.0 72 1
16 {} {0.459957254631 0.416675744256 0.402506863213} 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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