#MD System 2.0

@Title neb0_image02

@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 {} {0.662126503566 0.663810889379 0.000695087411111} Pt1 1.0 1 1
78 {} {0.41224285282 0.913647589399 0.000600996506836} Pt2 1.0 2 1
78 {} {0.412257180091 0.66376887719 0.000750395202851} Pt3 1.0 3 1
78 {} {0.162220756862 0.91379072852 0.000624035601736} Pt4 1.0 4 1
78 {} {0.912288783088 0.413608398129 0.000741728415325} Pt5 1.0 5 1
78 {} {0.912241302455 0.16371502406 0.000688510594164} Pt6 1.0 6 1
78 {} {0.662255359194 0.413715733878 0.000641578045555} Pt7 1.0 7 1
78 {} {0.162124325153 0.163813911715 0.000702780988941} Pt8 1.0 8 1
78 {} {0.912190220491 0.91380454261 0.000743125811073} Pt9 1.0 9 1
78 {} {0.912132261916 0.663788090107 0.000722653377834} Pt10 1.0 10 1
78 {} {0.662193097523 0.913704029935 0.000672940053297} Pt11 1.0 11 1
78 {} {0.1622236174 0.663763125269 0.000760922007563} Pt12 1.0 12 1
78 {} {0.66232474558 0.163626934681 0.000686389549106} Pt13 1.0 13 1
78 {} {0.412293674935 0.413697269815 0.000756170015542} Pt14 1.0 14 1
78 {} {0.412260509585 0.163676271966 0.00074595497217} Pt15 1.0 15 1
78 {} {0.162221457526 0.413689285944 0.000701622749009} Pt16 1.0 16 1
78 {} {0.745673688652 0.746778327365 0.0796866586882} Pt17 1.0 17 1
78 {} {0.745765261643 0.496887984514 0.0796379884355} Pt18 1.0 18 1
78 {} {0.495633391364 0.746943341288 0.0798069787749} Pt19 1.0 19 1
78 {} {-0.00396139891505 0.496829581056 0.0798744134636} Pt20 1.0 20 1
78 {} {0.495533711452 -0.00311730391389 0.0796735442644} Pt21 1.0 21 1
78 {} {0.245570687757 0.247330514458 0.079900212115} Pt22 1.0 22 1
78 {} {0.245671950158 -0.00289769480475 0.0795474079321} Pt23 1.0 23 1
78 {} {-0.00388942769128 0.247348417478 0.0799479454018} Pt24 1.0 24 1
78 {} {0.495395865325 0.497048553646 0.0797393990356} Pt25 1.0 25 1
78 {} {0.245685281832 0.746801572209 0.0797689807115} Pt26 1.0 26 1
78 {} {0.245473010751 0.49689303018 0.0798623930146} Pt27 1.0 27 1
78 {} {-0.00410257377261 0.746450413922 0.0797313977637} Pt28 1.0 28 1
78 {} {0.745703761847 0.246934733061 0.0796967119717} Pt29 1.0 29 1
78 {} {0.74561746842 -0.00305396846545 0.0797295504851} Pt30 1.0 30 1
78 {} {0.495113946327 0.247167863668 0.0797734868611} Pt31 1.0 31 1
78 {} {-0.00414686185947 -0.00333144800502 0.0797369925347} Pt32 1.0 32 1
78 {} {0.329044771634 0.329971435146 0.157574906468} Pt33 1.0 33 1
78 {} {0.0792824570182 0.579812653957 0.157297646718} Pt34 1.0 34 1
78 {} {0.0801442989662 0.33012546177 0.158000287205} Pt35 1.0 35 1
78 {} {0.829104077421 0.579445102142 0.157147401543} Pt36 1.0 36 1
78 {} {0.579458788491 0.0799752281373 0.157277291548} Pt37 1.0 37 1
78 {} {0.579302846515 0.829686619298 0.157208376074} Pt38 1.0 38 1
78 {} {0.329362020872 0.0794807421806 0.157198522857} Pt39 1.0 39 1
78 {} {0.829181741542 0.83005519503 0.157053779568} Pt40 1.0 40 1
78 {} {0.579371375151 0.579269200538 0.157370754141} Pt41 1.0 41 1
78 {} {0.579678867064 0.329378730908 0.157130370422} Pt42 1.0 42 1
78 {} {0.329647257966 0.579572839803 0.157323947387} Pt43 1.0 43 1
78 {} {0.829398947669 0.3295463602 0.157218182608} Pt44 1.0 44 1
78 {} {0.329107754344 0.829798562034 0.157193207628} Pt45 1.0 45 1
78 {} {0.0790291664629 0.0798649624331 0.157128345437} Pt46 1.0 46 1
78 {} {0.0791016642729 0.829897760471 0.157197920756} Pt47 1.0 47 1
78 {} {0.829048057578 0.0799754994963 0.157356163942} Pt48 1.0 48 1
78 {} {0.415020908529 0.411003566716 0.235441452074} Pt49 1.0 49 1
78 {} {0.413740958545 0.160893180024 0.23615158351} Pt50 1.0 50 1
78 {} {0.161724963406 0.413199131346 0.236888095319} Pt51 1.0 51 1
78 {} {0.663386674732 0.162188782411 0.237055355644} Pt52 1.0 52 1
78 {} {0.162885124565 0.665052925234 0.235188546377} Pt53 1.0 53 1
78 {} {0.912335665886 0.912958812121 0.236280902014} Pt54 1.0 54 1
78 {} {0.910558075285 0.663745400261 0.235471188318} Pt55 1.0 55 1
78 {} {0.662757263634 0.91243074329 0.23620808445} Pt56 1.0 56 1
78 {} {0.163199571053 0.161069476266 0.23620937324} Pt57 1.0 57 1
78 {} {0.911892266239 0.412275077937 0.236250349788} Pt58 1.0 58 1
78 {} {0.912995854909 0.162185131791 0.236267897322} Pt59 1.0 59 1
78 {} {0.663773984049 0.412075702087 0.236710334708} Pt60 1.0 60 1
78 {} {0.413208906382 0.911748505625 0.23624141386} Pt61 1.0 61 1
78 {} {0.413827302892 0.662502916224 0.23706838907} Pt62 1.0 62 1
78 {} {0.163297758077 0.912527264394 0.236217762651} Pt63 1.0 63 1
78 {} {0.662622509002 0.662195206398 0.236321306778} Pt64 1.0 64 1
1 {} {0.522228431405 0.381638092288 0.320432362859} H1 1.0 65 1
1 {} {0.436078117725 0.550193388424 0.312748030042} H2 1.0 66 1
1 {} {0.257186881695 0.480671929962 0.324113099549} H3 1.0 67 1
1 {} {0.107201810265 0.609902056674 0.322532806388} H4 1.0 68 1
8 {} {0.437195925014 0.462981777921 0.321403030787} O1 1.0 69 1
8 {} {0.159742605136 0.508505562614 0.316263470753} O2 1.0 70 1
8 {} {0.587663224126 0.417340954245 0.387866749839} O3 1.0 71 1
8 {} {0.311257698675 0.548066798549 0.398590799628} O4 1.0 72 1
16 {} {0.454783183379 0.432476072309 0.397832935765} 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} {11.0868992727 11.0868992727 29.0524114545 90 90 60.0000014545} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{11.0868992727 0 0} {5.54344939261 9.60153656011 0} {0 0 29.0524114545}} {{0.0901965441737 0 0} {-0.0520749960056 0.104149996591 0} {0 0 0.0344205506509}}
@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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