#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 {} {0.664300818917 0.665190670406 0.000238190953988} Pt1 1.0 1 1
78 {} {0.414385197605 0.91508173259 0.000217554825047} Pt2 1.0 2 1
78 {} {0.414385277095 0.665166882703 0.000251952177222} Pt3 1.0 3 1
78 {} {0.16435041763 0.915185422016 0.00016632534019} Pt4 1.0 4 1
78 {} {0.914353403607 0.415073206529 0.000258761925514} Pt5 1.0 5 1
78 {} {0.914320734764 0.165111686321 0.000173597283434} Pt6 1.0 6 1
78 {} {0.664386547499 0.415103174855 0.000179529347428} Pt7 1.0 7 1
78 {} {0.164308105033 0.165137326483 0.000248518294729} Pt8 1.0 8 1
78 {} {0.914292826397 0.915250171647 0.000213504317292} Pt9 1.0 9 1
78 {} {0.914288588678 0.665221207703 0.000248526815001} Pt10 1.0 10 1
78 {} {0.664349794023 0.915143596446 0.000191862204532} Pt11 1.0 11 1
78 {} {0.16434281109 0.665194375394 0.000263047256574} Pt12 1.0 12 1
78 {} {0.664477254836 0.165061008496 0.000189872764514} Pt13 1.0 13 1
78 {} {0.41443309632 0.415112429038 0.000264191476358} Pt14 1.0 14 1
78 {} {0.414430882604 0.165080873161 0.000255748352084} Pt15 1.0 15 1
78 {} {0.164359687837 0.415125887268 0.00021159764311} Pt16 1.0 16 1
78 {} {0.747763111625 0.748273882027 0.0789833721921} Pt17 1.0 17 1
78 {} {0.747798174906 0.498440837542 0.0789485387092} Pt18 1.0 18 1
78 {} {0.497746912462 0.748379723808 0.0790724309974} Pt19 1.0 19 1
78 {} {-0.00189219210254 0.498248602775 0.0791910427902} Pt20 1.0 20 1
78 {} {0.497632192687 -0.00161726212501 0.0789710786854} Pt21 1.0 21 1
78 {} {0.24752590774 0.248751048621 0.0791602108164} Pt22 1.0 22 1
78 {} {0.247809752223 -0.00153120859339 0.0789247043895} Pt23 1.0 23 1
78 {} {-0.00191229147118 0.248740290788 0.0791592688972} Pt24 1.0 24 1
78 {} {0.497640081571 0.498524252534 0.0789740753253} Pt25 1.0 25 1
78 {} {0.247766129914 0.748407699125 0.0789901570357} Pt26 1.0 26 1
78 {} {0.247543111868 0.498296420497 0.0791555976418} Pt27 1.0 27 1
78 {} {-0.00204857365328 0.747994189646 0.0790162988992} Pt28 1.0 28 1
78 {} {0.7478875777 0.248318455589 0.0789582635741} Pt29 1.0 29 1
78 {} {0.747742390462 -0.00152065319342 0.0789743321602} Pt30 1.0 30 1
78 {} {0.497279844781 0.248603247989 0.0790326255691} Pt31 1.0 31 1
78 {} {-0.00224416554505 -0.0015621112445 0.0789436287643} Pt32 1.0 32 1
78 {} {0.330624202311 0.331448104185 0.15683052288} Pt33 1.0 33 1
78 {} {0.0816496916188 0.580995578802 0.156840989686} Pt34 1.0 34 1
78 {} {0.0823310562901 0.331878545089 0.157374151482} Pt35 1.0 35 1
78 {} {0.831318233371 0.58111764581 0.156443872155} Pt36 1.0 36 1
78 {} {0.581655541375 0.0813851749034 0.156332131473} Pt37 1.0 37 1
78 {} {0.581579557643 0.8311878897 0.156410540975} Pt38 1.0 38 1
78 {} {0.331533148877 0.0809085473587 0.156412584388} Pt39 1.0 39 1
78 {} {0.831560962549 0.831356682946 0.156258241574} Pt40 1.0 40 1
78 {} {0.581539645057 0.580865236016 0.156509914379} Pt41 1.0 41 1
78 {} {0.581919643622 0.330785383338 0.156177898547} Pt42 1.0 42 1
78 {} {0.331449516704 0.581423214842 0.156486546424} Pt43 1.0 43 1
78 {} {0.831699372102 0.330968697486 0.156326119176} Pt44 1.0 44 1
78 {} {0.331285967723 0.831194753799 0.156435194994} Pt45 1.0 45 1
78 {} {0.0811490387608 0.0813686408834 0.156277668417} Pt46 1.0 46 1
78 {} {0.0810539076024 0.831447974048 0.156284166837} Pt47 1.0 47 1
78 {} {0.831435805195 0.0812796630671 0.156552083767} Pt48 1.0 48 1
78 {} {0.417534080844 0.413229304825 0.234565171402} Pt49 1.0 49 1
78 {} {0.416690034148 0.161852430588 0.235363322262} Pt50 1.0 50 1
78 {} {0.164873891604 0.413925309822 0.237094377489} Pt51 1.0 51 1
78 {} {0.665674082101 0.163510828402 0.235984988234} Pt52 1.0 52 1
78 {} {0.165181759355 0.666165050912 0.235140523118} Pt53 1.0 53 1
78 {} {0.914860762177 0.914230679309 0.235590200122} Pt54 1.0 54 1
78 {} {0.913096709471 0.665320616705 0.235191011464} Pt55 1.0 55 1
78 {} {0.665287179125 0.913682279889 0.235557367081} Pt56 1.0 56 1
78 {} {0.165465484145 0.161986573198 0.235437889914} Pt57 1.0 57 1
78 {} {0.913617769791 0.413854880866 0.235503198287} Pt58 1.0 58 1
78 {} {0.915178366669 0.163687137581 0.235645881549} Pt59 1.0 59 1
78 {} {0.66570776785 0.413699906408 0.235827328737} Pt60 1.0 60 1
78 {} {0.415544068531 0.913164322859 0.235594336213} Pt61 1.0 61 1
78 {} {0.415746054403 0.663865281126 0.236166812461} Pt62 1.0 62 1
78 {} {0.16536848333 0.913765675975 0.235529208461} Pt63 1.0 63 1
78 {} {0.664871427192 0.66384953462 0.235676651476} Pt64 1.0 64 1
1 {} {0.496169624542 0.369447626062 0.326889209095} H1 1.0 65 1
1 {} {0.414490916684 0.53268060886 0.316110607998} H2 1.0 66 1
1 {} {0.255251483849 0.457367323231 0.323466194968} H3 1.0 67 1
1 {} {0.0963976001455 0.562661095868 0.321548913602} H4 1.0 68 1
8 {} {0.415746658507 0.447790481032 0.330128870279} O1 1.0 69 1
8 {} {0.164063413957 0.46573714739 0.314904576734} O2 1.0 70 1
8 {} {0.565322019294 0.443309502178 0.39542029061} O3 1.0 71 1
8 {} {0.297690052228 0.573529102906 0.41073056845} O4 1.0 72 1
16 {} {0.428745797222 0.447407905188 0.404732837885} 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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@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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