#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 {} {0.66419276271 0.665273208956 -6.32135176477e-05} Pt1 1.0 1 1
78 {} {0.414411797299 0.915028802598 -0.000129222333282} Pt2 1.0 2 1
78 {} {0.414379861183 0.665276270319 -2.12867057011e-05} Pt3 1.0 3 1
78 {} {0.164319696083 0.915226781216 -0.000213054911454} Pt4 1.0 4 1
78 {} {0.914415855105 0.415046427161 4.33506851841e-05} Pt5 1.0 5 1
78 {} {0.914295197605 0.165187195738 -0.000138960028483} Pt6 1.0 6 1
78 {} {0.664414530834 0.415092119033 -0.000173337478258} Pt7 1.0 7 1
78 {} {0.164247681419 0.165285408605 2.5038905871e-05} Pt8 1.0 8 1
78 {} {0.914244920375 0.91531802239 -0.000115119819485} Pt9 1.0 9 1
78 {} {0.914208385502 0.665254648457 -7.94067474867e-06} Pt10 1.0 10 1
78 {} {0.664333730468 0.915165982036 -0.000152519295551} Pt11 1.0 11 1
78 {} {0.16434694712 0.665257537643 1.96411144405e-05} Pt12 1.0 12 1
78 {} {0.664516366316 0.165063858867 -0.000128677049692} Pt13 1.0 13 1
78 {} {0.41441867767 0.415130950727 6.83654234495e-06} Pt14 1.0 14 1
78 {} {0.414397618806 0.165063414717 1.65108493332e-05} Pt15 1.0 15 1
78 {} {0.16430075151 0.415131807246 -5.36562393261e-05} Pt16 1.0 16 1
78 {} {0.747836073349 0.748132137775 0.0789708747808} Pt17 1.0 17 1
78 {} {0.747925355748 0.49834531404 0.0789241596998} Pt18 1.0 18 1
78 {} {0.497821786725 0.748300221063 0.0791475987136} Pt19 1.0 19 1
78 {} {-0.0017028490299 0.498033278218 0.0793266420401} Pt20 1.0 20 1
78 {} {0.49763607002 -0.00166305159813 0.0789566034482} Pt21 1.0 21 1
78 {} {0.24754175506 0.248866795972 0.0793781303987} Pt22 1.0 22 1
78 {} {0.247879461234 -0.00147249194381 0.0788527911552} Pt23 1.0 23 1
78 {} {-0.00152083129997 0.248928251238 0.079340491498} Pt24 1.0 24 1
78 {} {0.497727729882 0.498402826129 0.0789384070104} Pt25 1.0 25 1
78 {} {0.247888915792 0.748321086891 0.0789939956847} Pt26 1.0 26 1
78 {} {0.247639125 0.498162078649 0.079144576441} Pt27 1.0 27 1
78 {} {-0.00200494980542 0.74783743741 0.0789299338046} Pt28 1.0 28 1
78 {} {0.747960742795 0.248352882216 0.078987087741} Pt29 1.0 29 1
78 {} {0.747706767588 -0.0015092293932 0.0789601801886} Pt30 1.0 30 1
78 {} {0.49709876989 0.248623885808 0.0790123483819} Pt31 1.0 31 1
78 {} {-0.00215984648907 -0.0014346011325 0.0788784150978} Pt32 1.0 32 1
78 {} {0.330598360613 0.331472482172 0.157047634455} Pt33 1.0 33 1
78 {} {0.0815278763744 0.581293150924 0.156896979261} Pt34 1.0 34 1
78 {} {0.0825976505472 0.332047936802 0.157957604884} Pt35 1.0 35 1
78 {} {0.831230513975 0.581058331312 0.15666455969} Pt36 1.0 36 1
78 {} {0.581586720515 0.0814361064635 0.156592340932} Pt37 1.0 37 1
78 {} {0.581592902188 0.831268641603 0.156601647426} Pt38 1.0 38 1
78 {} {0.331540591727 0.0808362629708 0.156687070762} Pt39 1.0 39 1
78 {} {0.831450784573 0.831621220395 0.156390331473} Pt40 1.0 40 1
78 {} {0.581562722993 0.580805890005 0.15676491806} Pt41 1.0 41 1
78 {} {0.582012966333 0.330619017517 0.156311729995} Pt42 1.0 42 1
78 {} {0.331701077912 0.581575379536 0.156480640203} Pt43 1.0 43 1
78 {} {0.831899961577 0.330938399735 0.156538316192} Pt44 1.0 44 1
78 {} {0.331190466299 0.831290561794 0.156624672037} Pt45 1.0 45 1
78 {} {0.0812642139778 0.0815148386828 0.156528090191} Pt46 1.0 46 1
78 {} {0.080822481187 0.831962961046 0.156261651312} Pt47 1.0 47 1
78 {} {0.831480617124 0.0813518800467 0.15673421208} Pt48 1.0 48 1
78 {} {0.416936553992 0.413308815091 0.233757616904} Pt49 1.0 49 1
78 {} {0.416349328782 0.162118139504 0.235508345045} Pt50 1.0 50 1
78 {} {0.163922474751 0.415537802454 0.237516526376} Pt51 1.0 51 1
78 {} {0.665867562861 0.1633276941 0.23600410178} Pt52 1.0 52 1
78 {} {0.164967773416 0.666969035032 0.234674933442} Pt53 1.0 53 1
78 {} {0.91493800998 0.914309568507 0.235697527617} Pt54 1.0 54 1
78 {} {0.912995589102 0.665691065481 0.235085263689} Pt55 1.0 55 1
78 {} {0.665211936812 0.913854576412 0.235603973421} Pt56 1.0 56 1
78 {} {0.165511829448 0.162286278082 0.235670514966} Pt57 1.0 57 1
78 {} {0.913659403345 0.413979121306 0.235674878271} Pt58 1.0 58 1
78 {} {0.915124535092 0.163765249627 0.235697211562} Pt59 1.0 59 1
78 {} {0.665846391029 0.413878504131 0.235817497985} Pt60 1.0 60 1
78 {} {0.415430406422 0.913243667114 0.235636727688} Pt61 1.0 61 1
78 {} {0.415812307101 0.664223238233 0.236277832438} Pt62 1.0 62 1
78 {} {0.165385172791 0.913849269414 0.235586525436} Pt63 1.0 63 1
78 {} {0.664707296718 0.663896302388 0.235718614001} Pt64 1.0 64 1
1 {} {0.501099200071 0.368781067992 0.324323331801} H1 1.0 65 1
1 {} {0.418076381434 0.527981210322 0.316088698835} H2 1.0 66 1
1 {} {0.25483741626 0.455677599147 0.32213121466} H3 1.0 67 1
1 {} {0.0940919711575 0.561974611782 0.320622094619} H4 1.0 68 1
8 {} {0.406802390956 0.448338564034 0.324323240892} O1 1.0 69 1
8 {} {0.1627714917 0.462769185822 0.316818345046} O2 1.0 70 1
8 {} {0.558773061159 0.449848380286 0.39943323349} O3 1.0 71 1
8 {} {0.304715150639 0.574345020436 0.410994721624} O4 1.0 72 1
16 {} {0.433551802591 0.444243106207 0.410379375387} 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} {11.0868996364 11.0868996364 29.0524107273 90 90 60.0000007273} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868996364 0 0} {5.54344969631 9.60153680466 0} {0 0 29.0524107273}} {{0.0901965412149 0 0} {-0.0520749958239 0.104149993938 0} {0 0 0.0344205515125}}
@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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