#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 {} {0.664383042433 0.665201903291 0.000367316683924} Pt1 1.0 1 1
78 {} {0.4144326634 0.91513367908 0.000353973266222} Pt2 1.0 2 1
78 {} {0.414437643131 0.66518399796 0.000375777336253} Pt3 1.0 3 1
78 {} {0.164414054997 0.91520264575 0.000318257913865} Pt4 1.0 4 1
78 {} {0.914410455884 0.415123308949 0.000376699126606} Pt5 1.0 5 1
78 {} {0.914391044294 0.165146365419 0.000321059735806} Pt6 1.0 6 1
78 {} {0.66443587797 0.415146018329 0.000327358873754} Pt7 1.0 7 1
78 {} {0.164385330353 0.165159507299 0.000370187618405} Pt8 1.0 8 1
78 {} {0.914371933083 0.915248039909 0.000349671229291} Pt9 1.0 9 1
78 {} {0.914370831807 0.665227252811 0.000371818100541} Pt10 1.0 10 1
78 {} {0.664412658365 0.91517169082 0.00033543699156} Pt11 1.0 11 1
78 {} {0.164404993799 0.665207023804 0.000381103464268} Pt12 1.0 12 1
78 {} {0.664502558253 0.165112889706 0.000333497837288} Pt13 1.0 13 1
78 {} {0.414472493733 0.415149937258 0.000381658309924} Pt14 1.0 14 1
78 {} {0.414470454549 0.165128224157 0.000376430984597} Pt15 1.0 15 1
78 {} {0.16442118097 0.415159698145 0.000346715870931} Pt16 1.0 16 1
78 {} {0.747796314927 0.748367589434 0.0788640410812} Pt17 1.0 17 1
78 {} {0.747814838606 0.498488958671 0.0788403945133} Pt18 1.0 18 1
78 {} {0.497788954253 0.748438106612 0.0789224809906} Pt19 1.0 19 1
78 {} {-0.00195967855848 0.498354585608 0.0790066579097} Pt20 1.0 20 1
78 {} {0.497710231762 -0.00156207212708 0.0788544936825} Pt21 1.0 21 1
78 {} {0.247631257199 0.248698091832 0.0789813575209} Pt22 1.0 22 1
78 {} {0.247835206434 -0.00150784052005 0.0788263843932} Pt23 1.0 23 1
78 {} {-0.0019871360247 0.24868348882 0.0789804681018} Pt24 1.0 24 1
78 {} {0.49770847101 0.498547394547 0.0788572119867} Pt25 1.0 25 1
78 {} {0.247798240272 0.748460545442 0.0788656027937} Pt26 1.0 26 1
78 {} {0.247639255225 0.49838376454 0.0789872377183} Pt27 1.0 27 1
78 {} {-0.00206790746628 0.748168001341 0.078890724117} Pt28 1.0 28 1
78 {} {0.747888408799 0.248388744869 0.0788438552964} Pt29 1.0 29 1
78 {} {0.747786624744 -0.00149221745358 0.0788574784578} Pt30 1.0 30 1
78 {} {0.497466712909 0.248592566025 0.0789003625517} Pt31 1.0 31 1
78 {} {-0.00220904733531 -0.00152648358522 0.0788365942461} Pt32 1.0 32 1
78 {} {0.330674257817 0.331490624687 0.156788757362} Pt33 1.0 33 1
78 {} {0.081769052977 0.580921732453 0.156861619156} Pt34 1.0 34 1
78 {} {0.0822606709608 0.331863087218 0.157228962233} Pt35 1.0 35 1
78 {} {0.831372430969 0.581172994807 0.156378885314} Pt36 1.0 36 1
78 {} {0.581724616222 0.0814023847804 0.156256397471} Pt37 1.0 37 1
78 {} {0.581638250613 0.831205511482 0.156350101035} Pt38 1.0 38 1
78 {} {0.331582638723 0.0809415542155 0.156342390422} Pt39 1.0 39 1
78 {} {0.831619538739 0.831367030454 0.156200109807} Pt40 1.0 40 1
78 {} {0.58158703607 0.580921997266 0.156440484546} Pt41 1.0 41 1
78 {} {0.58197468242 0.330841779938 0.156111507129} Pt42 1.0 42 1
78 {} {0.331455245054 0.581501137298 0.15643510791} Pt43 1.0 43 1
78 {} {0.831760487843 0.330995562314 0.156255456762} Pt44 1.0 44 1
78 {} {0.331361629434 0.831215550713 0.156375170567} Pt45 1.0 45 1
78 {} {0.0811909432079 0.08140378711 0.156205903497} Pt46 1.0 46 1
78 {} {0.0811346182117 0.831436112169 0.156241718026} Pt47 1.0 47 1
78 {} {0.831503335971 0.0813081289613 0.156486881142} Pt48 1.0 48 1
78 {} {0.41765612089 0.413236061897 0.234650903379} Pt49 1.0 49 1
78 {} {0.416823166922 0.161790809071 0.235325847246} Pt50 1.0 50 1
78 {} {0.165076091717 0.413545371157 0.237094405765} Pt51 1.0 51 1
78 {} {0.665742013614 0.163504122784 0.235952432803} Pt52 1.0 52 1
78 {} {0.165160588422 0.66603192549 0.235256812415} Pt53 1.0 53 1
78 {} {0.914864592433 0.914294636364 0.235573647141} Pt54 1.0 54 1
78 {} {0.913184510038 0.665300328714 0.235240527229} Pt55 1.0 55 1
78 {} {0.665348680496 0.913703093263 0.235558436301} Pt56 1.0 56 1
78 {} {0.165518586128 0.161977152075 0.235396343095} Pt57 1.0 57 1
78 {} {0.913650689312 0.413885367138 0.235478927535} Pt58 1.0 58 1
78 {} {0.915253632839 0.163718796858 0.235647539355} Pt59 1.0 59 1
78 {} {0.665783943623 0.413714599051 0.235818175824} Pt60 1.0 60 1
78 {} {0.415615934844 0.913202242544 0.235595679341} Pt61 1.0 61 1
78 {} {0.415857705624 0.663950423094 0.236089849732} Pt62 1.0 62 1
78 {} {0.165422039503 0.913856099317 0.235524431486} Pt63 1.0 63 1
78 {} {0.664949312991 0.663897005087 0.235680371517} Pt64 1.0 64 1
1 {} {0.498382890537 0.365093574561 0.327096741446} H1 1.0 65 1
1 {} {0.413270843568 0.532793259104 0.316175733984} H2 1.0 66 1
1 {} {0.254651686498 0.457516795764 0.323670653357} H3 1.0 67 1
1 {} {0.0969340200448 0.561434252801 0.321716941377} H4 1.0 68 1
8 {} {0.415550379355 0.451060155949 0.333295448506} O1 1.0 69 1
8 {} {0.164379356656 0.464884901581 0.314401515117} O2 1.0 70 1
8 {} {0.56698068615 0.441553041843 0.394284530034} O3 1.0 71 1
8 {} {0.294809363691 0.574047434728 0.411435489057} O4 1.0 72 1
16 {} {0.425329951495 0.45015357658 0.402858229632} 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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