#MD System 2.0 @Title neb0_image03 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.207970422974 0.528200600671 0.313914061482} C1 1 1 14 {} {0.261787281999 0.490845419114 0.272307658727} Si1 2 1 14 {} {0.16129175202 0.536615533642 0.233146064173} Si2 3 1 8 {} {0.273980277622 0.522582300547 0.173354761237} O1 4 1 8 {} {0.301816530212 0.51155690791 0.3426003514} O2 5 1 6 {} {0.259587673195 0.397655675239 0.26590305477} C2 6 1 6 {} {0.129531173947 0.457112094236 0.215330836273} C3 7 1 8 {} {0.185672218601 0.562653357218 0.138829092837} O3 8 1 8 {} {0.126083667194 0.597631778488 0.261098673236} O4 9 1 14 {} {0.353295408284 0.540694083341 0.348839184524} Si3 10 1 7 {} {0.38787253119 0.477646836321 0.39025334183} N1 11 1 14 {} {0.441876240333 0.475409920667 0.347581369289} Si4 12 1 14 {} {0.367589355826 0.423222521355 0.47297231117} Si5 13 1 7 {} {0.338194796567 0.460718284573 0.558433961961} N2 14 1 7 {} {0.462694100326 0.555832644833 0.351868484825} N3 15 1 1 {} {0.196290032509 0.499785001322 0.372534332219} H1 16 1 1 {} {0.215884849095 0.579104500639 0.337765957485} H2 17 1 1 {} {0.248874794841 0.544303486429 0.143442292959} H3 18 1 1 {} {0.2543228241 0.374449903473 0.331516405918} H4 19 1 1 {} {0.291264766859 0.378575093339 0.239081696943} H5 20 1 1 {} {0.2328159304 0.3810188908 0.220924681108} H6 21 1 1 {} {0.103066455802 0.463598272085 0.165220360153} H7 22 1 1 {} {0.113843097791 0.439645996821 0.277509525552} H8 23 1 1 {} {0.15171612207 0.416981919348 0.19183853108} H9 24 1 1 {} {0.167002258065 0.585796889751 0.0959990584924} H10 25 1 1 {} {0.0975971322339 0.58502657065 0.286399365965} H11 26 1 1 {} {0.369785635197 0.560903902344 0.259411030503} H12 27 1 1 {} {0.351988358665 0.599266371612 0.410095515389} H13 28 1 1 {} {0.466315082812 0.423824737849 0.400597646428} H14 29 1 1 {} {0.443971681848 0.457108689358 0.251319587493} H15 30 1 1 {} {0.336158377665 0.374043305327 0.432427621988} H16 31 1 1 {} {0.407100313402 0.388870140574 0.511926061761} H17 32 1 1 {} {0.306661459593 0.477320879298 0.546938759051} H18 33 1 1 {} {0.354121331423 0.49177090422 0.602099006822} H19 34 1 1 {} {0.487144535059 0.569623714124 0.308565576311} H20 35 1 1 {} {0.467607024931 0.578190828802 0.412015248472} H21 36 1 6 {} {0.65304429549 0.638156753412 0.498362875022} C4 37 1 14 {} {0.613497854836 0.574283278093 0.451455296775} Si6 38 1 14 {} {0.650297101047 0.724541327796 0.453293884874} Si7 39 1 8 {} {0.609539596124 0.582611583742 0.342068104804} O5 40 1 8 {} {0.633510398071 0.499513574652 0.474998205758} O6 41 1 6 {} {0.557010491371 0.579973739598 0.502569527837} C5 42 1 6 {} {0.602529017866 0.774900225059 0.498054958892} C6 43 1 8 {} {0.646791437577 0.713271141915 0.342955942348} O7 44 1 8 {} {0.697812374179 0.766393473397 0.469370240645} O8 45 1 14 {} {0.643354383399 0.421413714225 0.44757461497} Si8 46 1 7 {} {0.597922181889 0.369058666098 0.464987765371} N4 47 1 14 {} {0.578403755311 0.319911617267 0.376848926563} Si9 48 1 14 {} {0.572675305803 0.365274125382 0.570812602889} Si10 49 1 7 {} {0.609235561725 0.384889652054 0.658841969675} N5 50 1 7 {} {0.612613840708 0.257315940661 0.338366376812} N6 51 1 1 {} {0.648612010059 0.639351126341 0.571363267569} H22 52 1 1 {} {0.687174411407 0.619824248161 0.485878805343} H23 53 1 1 {} {0.622659884133 0.624139429558 0.319014327737} H24 54 1 1 {} {0.556857781609 0.571118572721 0.575004251071} H25 55 1 1 {} {0.536002732027 0.541555064191 0.471081634917} H26 56 1 1 {} {0.541792565517 0.629168940903 0.489891174826} H27 57 1 1 {} {0.601658971955 0.825397636584 0.468721558406} H28 58 1 1 {} {0.60460968695 0.780528258709 0.571047298546} H29 59 1 1 {} {0.570396748953 0.750794130822 0.483226884456} H30 60 1 1 {} {0.653932842856 0.750970591851 0.304684409103} H31 61 1 1 {} {0.697966297774 0.801232664321 0.514110743221} H32 62 1 1 {} {0.654663259325 0.41625729133 0.350486936242} H33 63 1 1 {} {0.682556982806 0.400988631302 0.502228804896} H34 64 1 1 {} {0.536422622165 0.288379434827 0.409828584156} H35 65 1 1 {} {0.570037508184 0.362994383315 0.297340985262} H36 66 1 1 {} {0.535605415007 0.414414071346 0.578878369269} H37 67 1 1 {} {0.556251654346 0.295647519913 0.58368326372} H38 68 1 1 {} {0.614526247514 0.432744112691 0.673224766752} H39 69 1 1 {} {0.635085721408 0.355769011667 0.671791114786} H40 70 1 1 {} {0.637484877945 0.268242582643 0.294188429969} H41 71 1 1 {} {0.622366623549 0.218688310479 0.379509694193} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end