#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 {} {0.664267778683 0.665234975924 8.77311022547e-05} Pt1 1.0 1 1
78 {} {0.414411721983 0.915063108452 5.29225384249e-05} Pt2 1.0 2 1
78 {} {0.414395005275 0.665212615821 0.000111176919922} Pt3 1.0 3 1
78 {} {0.164348094016 0.915211218767 -1.37742705634e-05} Pt4 1.0 4 1
78 {} {0.914381936065 0.415066740614 0.000136907100381} Pt5 1.0 5 1
78 {} {0.914320015175 0.165139856419 1.05272830562e-05} Pt6 1.0 6 1
78 {} {0.664407660735 0.41510328412 6.528739107e-06} Pt7 1.0 7 1
78 {} {0.164288702904 0.165194211018 0.00012191883846} Pt8 1.0 8 1
78 {} {0.914282391802 0.915289571824 5.53734473277e-05} Pt9 1.0 9 1
78 {} {0.914266715065 0.665253416841 0.000114327759028} Pt10 1.0 10 1
78 {} {0.664352071437 0.915161108194 2.46632031625e-05} Pt11 1.0 11 1
78 {} {0.164353054873 0.665227238641 0.000136421408955} Pt12 1.0 12 1
78 {} {0.664507754079 0.165063664597 2.73814961289e-05} Pt13 1.0 13 1
78 {} {0.414445943288 0.415125052523 0.000135834082022} Pt14 1.0 14 1
78 {} {0.414442679069 0.165081005297 0.000125905704415} Pt15 1.0 15 1
78 {} {0.164352560368 0.415138006029 6.59802013101e-05} Pt16 1.0 16 1
78 {} {0.747808533425 0.748215294109 0.0790152513174} Pt17 1.0 17 1
78 {} {0.747873983205 0.498408870048 0.0789692180619} Pt18 1.0 18 1
78 {} {0.497779729358 0.74835646401 0.0791439934168} Pt19 1.0 19 1
78 {} {-0.00177720333778 0.498162533067 0.0792889626051} Pt20 1.0 20 1
78 {} {0.497629961309 -0.00162573766477 0.0790014637387} Pt21 1.0 21 1
78 {} {0.247514168276 0.248831104304 0.0792751975128} Pt22 1.0 22 1
78 {} {0.24784360686 -0.00149154836603 0.0789275255219} Pt23 1.0 23 1
78 {} {-0.0017319905296 0.248852105715 0.07927222597} Pt24 1.0 24 1
78 {} {0.497659568063 0.498503476619 0.0790019289793} Pt25 1.0 25 1
78 {} {0.247819491583 0.748378420963 0.0790354684046} Pt26 1.0 26 1
78 {} {0.247563649626 0.498241822641 0.0792118744932} Pt27 1.0 27 1
78 {} {-0.00198555527195 0.74788974485 0.0790332756176} Pt28 1.0 28 1
78 {} {0.747937774308 0.248323341181 0.0789994182195} Pt29 1.0 29 1
78 {} {0.747751428615 -0.00151203267578 0.0790053573226} Pt30 1.0 30 1
78 {} {0.497167054673 0.248651642164 0.0790680799937} Pt31 1.0 31 1
78 {} {-0.0021973590903 -0.00153039685396 0.0789596449431} Pt32 1.0 32 1
78 {} {0.330651929842 0.331456969632 0.156922536844} Pt33 1.0 33 1
78 {} {0.0815879239129 0.581150427184 0.156853075263} Pt34 1.0 34 1
78 {} {0.08248059237 0.331951051686 0.157610587549} Pt35 1.0 35 1
78 {} {0.831307005594 0.581098635006 0.156543648484} Pt36 1.0 36 1
78 {} {0.581648854496 0.0814172177123 0.156448177254} Pt37 1.0 37 1
78 {} {0.581590063126 0.831229244191 0.156498896123} Pt38 1.0 38 1
78 {} {0.331550666794 0.0808938366809 0.15652552323} Pt39 1.0 39 1
78 {} {0.831543138479 0.831447832869 0.15633167093} Pt40 1.0 40 1
78 {} {0.581551328102 0.580853963015 0.15662474439} Pt41 1.0 41 1
78 {} {0.581933853011 0.330748096865 0.156265168596} Pt42 1.0 42 1
78 {} {0.331565952133 0.581430773488 0.156527005723} Pt43 1.0 43 1
78 {} {0.831757616437 0.330977217001 0.156422516857} Pt44 1.0 44 1
78 {} {0.331262258179 0.831229697536 0.156524822458} Pt45 1.0 45 1
78 {} {0.0811965202146 0.0814073847612 0.156384985573} Pt46 1.0 46 1
78 {} {0.0809989648956 0.831605879744 0.156308328822} Pt47 1.0 47 1
78 {} {0.831455470743 0.0812988425154 0.156641448526} Pt48 1.0 48 1
78 {} {0.417308854826 0.413279605118 0.23420357193} Pt49 1.0 49 1
78 {} {0.416597515407 0.161994618275 0.235395660804} Pt50 1.0 50 1
78 {} {0.164604259679 0.41459180205 0.237169992279} Pt51 1.0 51 1
78 {} {0.665739354309 0.163478602456 0.235957283394} Pt52 1.0 52 1
78 {} {0.165209893788 0.666455515391 0.234934828937} Pt53 1.0 53 1
78 {} {0.914929123399 0.914229378824 0.235608705772} Pt54 1.0 54 1
78 {} {0.913085323269 0.665443702065 0.235112102772} Pt55 1.0 55 1
78 {} {0.665285079706 0.913749890138 0.235545270059} Pt56 1.0 56 1
78 {} {0.165497356876 0.162074842967 0.235490109395} Pt57 1.0 57 1
78 {} {0.913643070906 0.413897175667 0.23553259119} Pt58 1.0 58 1
78 {} {0.915153479487 0.163719577223 0.235634511431} Pt59 1.0 59 1
78 {} {0.665749961079 0.413770459197 0.235791945705} Pt60 1.0 60 1
78 {} {0.415519862316 0.91317261815 0.235578741569} Pt61 1.0 61 1
78 {} {0.415740217841 0.663925283469 0.236225888341} Pt62 1.0 62 1
78 {} {0.165393310016 0.913745925415 0.235523880492} Pt63 1.0 63 1
78 {} {0.664817057052 0.663852204043 0.235660463086} Pt64 1.0 64 1
1 {} {0.501693320022 0.366073811693 0.325830192318} H1 1.0 65 1
1 {} {0.41659115483 0.529633778248 0.316314192503} H2 1.0 66 1
1 {} {0.255037854032 0.456338857969 0.322934280275} H3 1.0 67 1
1 {} {0.0953252394417 0.562250713651 0.321197921578} H4 1.0 68 1
8 {} {0.406336491849 0.452755884144 0.32759874518} O1 1.0 69 1
8 {} {0.164376381147 0.464738251633 0.315779273276} O2 1.0 70 1
8 {} {0.558720733518 0.447634600679 0.397167212055} O3 1.0 71 1
8 {} {0.302578171884 0.57296160682 0.41056541917} O4 1.0 72 1
16 {} {0.432668059155 0.445133442895 0.40718673801} 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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