#MD System 2.0

@Title neb0_image05

@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 {} {0.658329320156 0.661333599263 0.00137082015427} Pt1 1.0 1 1
78 {} {0.408403734626 0.911565502717 0.00132542992672} Pt2 1.0 2 1
78 {} {0.408384307513 0.661609692963 0.00206646141934} Pt3 1.0 3 1
78 {} {0.158504888111 0.911374563636 0.00209788233565} Pt4 1.0 4 1
78 {} {0.908199988824 0.411330229587 0.00115279215706} Pt5 1.0 5 1
78 {} {0.908462273813 0.16139938572 0.00142273138914} Pt6 1.0 6 1
78 {} {0.658529949129 0.411454518189 0.00157926761017} Pt7 1.0 7 1
78 {} {0.158364740664 0.161426586849 0.000985225363393} Pt8 1.0 8 1
78 {} {0.908547296683 0.911450751026 0.00214009266156} Pt9 1.0 9 1
78 {} {0.908282898221 0.661628809798 0.00156897910534} Pt10 1.0 10 1
78 {} {0.658263180003 0.911489229458 0.00159394114877} Pt11 1.0 11 1
78 {} {0.158504175809 0.661627744202 0.00210216449543} Pt12 1.0 12 1
78 {} {0.658562034913 0.16142042823 0.00152571380052} Pt13 1.0 13 1
78 {} {0.408662983912 0.411511710939 0.00190760151408} Pt14 1.0 14 1
78 {} {0.408514849849 0.161313304343 0.00152116980132} Pt15 1.0 15 1
78 {} {0.158491509252 0.411378048167 0.00137599495969} Pt16 1.0 16 1
78 {} {0.741829800819 0.744179765609 0.0804594118266} Pt17 1.0 17 1
78 {} {0.741764512354 0.493856630941 0.080558983282} Pt18 1.0 18 1
78 {} {0.491621403927 0.744687398167 0.0806471735868} Pt19 1.0 19 1
78 {} {-0.0082117513625 0.494105074941 0.0800698602676} Pt20 1.0 20 1
78 {} {0.491878139562 -0.0058377126894 0.0806288458255} Pt21 1.0 21 1
78 {} {0.241876620194 0.244028915048 0.0801724222809} Pt22 1.0 22 1
78 {} {0.242153668897 -0.00580568581617 0.080452897478} Pt23 1.0 23 1
78 {} {-0.00815109969446 0.243411337679 0.0801917230042} Pt24 1.0 24 1
78 {} {0.491385537768 0.494553750025 0.0810982025091} Pt25 1.0 25 1
78 {} {0.241675868074 0.74380243276 0.0816798949059} Pt26 1.0 26 1
78 {} {0.24186052267 0.494093025794 0.0808608816737} Pt27 1.0 27 1
78 {} {-0.00766443434352 0.74381784443 0.0812722056051} Pt28 1.0 28 1
78 {} {0.742240181323 0.243687906957 0.0806294195912} Pt29 1.0 29 1
78 {} {0.741870965504 -0.00610029510592 0.0807759843964} Pt30 1.0 30 1
78 {} {0.492057589497 0.244007325512 0.0806241760498} Pt31 1.0 31 1
78 {} {-0.0073037175018 -0.00726403774816 0.0812564358875} Pt32 1.0 32 1
78 {} {0.326219638604 0.325704298775 0.158099965909} Pt33 1.0 33 1
78 {} {0.0754244017801 0.57584613715 0.158379555937} Pt34 1.0 34 1
78 {} {0.0741648641347 0.32586924714 0.157432927041} Pt35 1.0 35 1
78 {} {0.824962091549 0.575926280797 0.157862425051} Pt36 1.0 36 1
78 {} {0.575901986006 0.0770018909427 0.158433835776} Pt37 1.0 37 1
78 {} {0.575487104444 0.826431146964 0.158327028435} Pt38 1.0 38 1
78 {} {0.325113862064 0.0767326452409 0.15817732951} Pt39 1.0 39 1
78 {} {0.825066609065 0.827057678661 0.158471400829} Pt40 1.0 40 1
78 {} {0.575353627447 0.576229765325 0.158609849021} Pt41 1.0 41 1
78 {} {0.576321317892 0.326677004502 0.158519972719} Pt42 1.0 42 1
78 {} {0.324748217319 0.576282762946 0.159569560624} Pt43 1.0 43 1
78 {} {0.825050495528 0.326147892339 0.158631615255} Pt44 1.0 44 1
78 {} {0.32544782111 0.826812395524 0.158728857764} Pt45 1.0 45 1
78 {} {0.0751662526875 0.0759010967015 0.158373705266} Pt46 1.0 46 1
78 {} {0.0765931898817 0.824190683782 0.160358239054} Pt47 1.0 47 1
78 {} {0.826048218754 0.0763323109153 0.158537639064} Pt48 1.0 48 1
78 {} {0.411673030738 0.405277093029 0.237511449092} Pt49 1.0 49 1
78 {} {0.409646007919 0.15745764511 0.237461232612} Pt50 1.0 50 1
78 {} {0.159009007168 0.404715497393 0.235692398113} Pt51 1.0 51 1
78 {} {0.659609520151 0.158454781382 0.238072752992} Pt52 1.0 52 1
78 {} {0.159704678694 0.656219600949 0.239342489954} Pt53 1.0 53 1
78 {} {0.907409565 0.910104359302 0.237867047266} Pt54 1.0 54 1
78 {} {0.906220175627 0.658787397173 0.236295289466} Pt55 1.0 55 1
78 {} {0.658365667831 0.909216110904 0.237544832018} Pt56 1.0 56 1
78 {} {0.158777938985 0.157875072062 0.237341439395} Pt57 1.0 57 1
78 {} {0.90816898638 0.40848935294 0.237443779515} Pt58 1.0 58 1
78 {} {0.908845342023 0.158966672952 0.237952784258} Pt59 1.0 59 1
78 {} {0.659183955624 0.408596293627 0.238801516128} Pt60 1.0 60 1
78 {} {0.408992084006 0.908570700801 0.237607276345} Pt61 1.0 61 1
78 {} {0.410537674456 0.658374095938 0.238037392771} Pt62 1.0 62 1
78 {} {0.159412487454 0.909491336675 0.238154597883} Pt63 1.0 63 1
78 {} {0.658353032656 0.658868107358 0.237687042399} Pt64 1.0 64 1
1 {} {0.623664481904 0.330303828981 0.317973252948} H1 1.0 65 1
1 {} {0.454836419531 0.589835299068 0.311648224759} H2 1.0 66 1
1 {} {0.235839932078 0.538514320698 0.326629224818} H3 1.0 67 1
1 {} {0.132861474803 0.701319289929 0.331072004264} H4 1.0 68 1
8 {} {0.45283607302 0.597302903434 0.346849416416} O1 1.0 69 1
8 {} {0.147115060489 0.619454606311 0.313822814323} O2 1.0 70 1
8 {} {0.625082825522 0.339783288503 0.352285599287} O3 1.0 71 1
8 {} {0.369130167256 0.427142427382 0.355876411368} O4 1.0 72 1
16 {} {0.477926972866 0.457518334106 0.373182405924} 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} {11.0868983636 11.0868983636 29.0524132727 90 90 60.0000032727} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868983636 0 0} {5.54344863338 9.60153594873 0} {0 0 29.0524132727}} {{0.0901965515697 0 0} {-0.0520749964593 0.104150003222 0} {0 0 0.0344205484967}}
@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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