#MD System 2.0 @Title neb0_image08 @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 {} {0.221519577823 0.525688079251 0.336429549568} C1 1 1 14 {} {0.27532026006 0.488644644897 0.29450240989} Si1 2 1 14 {} {0.174894945041 0.534207345146 0.255512788705} Si2 3 1 8 {} {0.287979841456 0.521452733553 0.196554790217} O1 4 1 8 {} {0.314778078867 0.509618344565 0.365960120512} O2 5 1 6 {} {0.273510084371 0.395446736581 0.287751253499} C2 6 1 6 {} {0.143331849899 0.454509382817 0.237693548312} C3 7 1 8 {} {0.199364867541 0.560371434182 0.161294341263} O3 8 1 8 {} {0.139467985636 0.595161557232 0.282682002973} O4 9 1 14 {} {0.36633198374 0.538039126005 0.370128189059} Si3 10 1 7 {} {0.40020892992 0.473566631893 0.410908916337} N1 11 1 14 {} {0.453279882683 0.472629993907 0.364040618825} Si4 12 1 14 {} {0.380734076083 0.4200014673 0.495862888529} Si5 13 1 7 {} {0.351932751389 0.458417207896 0.581425153436} N2 14 1 7 {} {0.467867818152 0.556317955015 0.360751552113} N3 15 1 1 {} {0.209927511396 0.497109664772 0.39494487124} H1 16 1 1 {} {0.229452094302 0.576512534432 0.360539254954} H2 17 1 1 {} {0.262549422117 0.54190232951 0.165985072812} H3 18 1 1 {} {0.268309685804 0.372403561041 0.353546324885} H4 19 1 1 {} {0.305214253119 0.376391330482 0.260950625037} H5 20 1 1 {} {0.2467287117 0.378468443827 0.242977894653} H6 21 1 1 {} {0.116794728614 0.460741932669 0.18768628089} H7 22 1 1 {} {0.12776114819 0.436845999452 0.299908271521} H8 23 1 1 {} {0.165654121997 0.414569406751 0.214141221512} H9 24 1 1 {} {0.18077591458 0.583156559687 0.118046129709} H10 25 1 1 {} {0.111116458824 0.582688026911 0.308623653691} H11 26 1 1 {} {0.382726655724 0.557663761253 0.280177123191} H12 27 1 1 {} {0.365945933033 0.596847722735 0.432010013563} H13 28 1 1 {} {0.479839480276 0.424980226303 0.420721530182} H14 29 1 1 {} {0.456801274108 0.449499222423 0.268704530139} H15 30 1 1 {} {0.349331970909 0.370573234433 0.455433061413} H16 31 1 1 {} {0.420827073237 0.386510020225 0.534434689804} H17 32 1 1 {} {0.32035629448 0.475256514599 0.56976703139} H18 33 1 1 {} {0.368037054506 0.489242666459 0.624967359558} H19 34 1 1 {} {0.496289543778 0.565812986587 0.325284371928} H20 35 1 1 {} {0.467429916108 0.578458912787 0.422338994824} H21 36 1 6 {} {0.642530587971 0.64175159824 0.476398195399} C4 37 1 14 {} {0.602724440664 0.577942686064 0.432908025031} Si6 38 1 14 {} {0.636959214017 0.727708260149 0.430884645821} Si7 39 1 8 {} {0.595714186487 0.585435658267 0.3235040294} O5 40 1 8 {} {0.620490229881 0.501355636328 0.452297932108} O6 41 1 6 {} {0.547870038811 0.583269567892 0.489676657709} C5 42 1 6 {} {0.588792649437 0.777062252645 0.475961676614} C6 43 1 8 {} {0.632284667818 0.715908055246 0.320737283445} O7 44 1 8 {} {0.68428664743 0.769291818613 0.446423057128} O8 45 1 14 {} {0.629782911861 0.423109143779 0.424715018276} Si8 46 1 7 {} {0.58413653346 0.371425786841 0.443089457055} N4 47 1 14 {} {0.564560228712 0.322124945641 0.354355560997} Si9 48 1 14 {} {0.559517244495 0.367978470802 0.549598372988} Si10 49 1 7 {} {0.595076498009 0.386760661416 0.636053662157} N5 50 1 7 {} {0.59943445687 0.259430209225 0.316683194176} N6 51 1 1 {} {0.635348529249 0.641651569211 0.548575247387} H22 52 1 1 {} {0.676836428806 0.623490528084 0.464724574396} H23 53 1 1 {} {0.608197732471 0.626239570948 0.297422437556} H24 54 1 1 {} {0.548384117771 0.577894340229 0.563350839388} H25 55 1 1 {} {0.531691636698 0.53945502506 0.45825659526} H26 56 1 1 {} {0.530412626756 0.629602857433 0.471448694454} H27 57 1 1 {} {0.588026767881 0.827508190905 0.446567507618} H28 58 1 1 {} {0.590812970836 0.78276698011 0.548860539902} H29 59 1 1 {} {0.556652847579 0.753104240297 0.460800028095} H30 60 1 1 {} {0.639947936578 0.753348841028 0.282541499696} H31 61 1 1 {} {0.684345628256 0.803780203893 0.491817862852} H32 62 1 1 {} {0.641029688618 0.418464842572 0.327700507608} H33 63 1 1 {} {0.668921507623 0.403016901282 0.479727280904} H34 64 1 1 {} {0.522804083863 0.290152602 0.387319687009} H35 65 1 1 {} {0.556392151622 0.36522537307 0.274782384528} H36 66 1 1 {} {0.522655434729 0.417507681581 0.557358783456} H37 67 1 1 {} {0.542252179003 0.298543654025 0.561063365913} H38 68 1 1 {} {0.601160738451 0.435490808763 0.651373089518} H39 69 1 1 {} {0.622008511192 0.35767255801 0.649737034678} H40 70 1 1 {} {0.624147413382 0.27055500956 0.272630400609} H41 71 1 1 {} {0.60909621158 0.221568718155 0.357776568703} 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