#MD System 2.0 @Title neb0_image10 @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 {} {0.22572378182 0.52490391103 0.343261203607} C1 1 1 14 {} {0.279664922303 0.487938803698 0.301410522773} Si1 2 1 14 {} {0.179017637099 0.533429099625 0.262291519046} Si2 3 1 8 {} {0.292288810662 0.521152784626 0.203671227939} O1 4 1 8 {} {0.319608723461 0.508206113773 0.372429957656} O2 5 1 6 {} {0.277689431891 0.394740587182 0.294400719251} C2 6 1 6 {} {0.147491055032 0.453701402049 0.24451027773} C3 7 1 8 {} {0.203521221574 0.559221898773 0.167987465798} O3 8 1 8 {} {0.1436723956 0.594597428007 0.28911992728} O4 9 1 14 {} {0.371108084466 0.53711618329 0.377476890448} Si3 10 1 7 {} {0.40585418552 0.474209217545 0.419112297653} N1 11 1 14 {} {0.460302737423 0.472684694 0.378279903607} Si4 12 1 14 {} {0.385468431209 0.420022658994 0.50191162446} Si5 13 1 7 {} {0.356355281427 0.457856554811 0.587318018252} N2 14 1 7 {} {0.482274722775 0.552419023358 0.384465952886} N3 15 1 1 {} {0.214105063581 0.49631130898 0.401768763787} H1 16 1 1 {} {0.233537417338 0.575742765985 0.367463750926} H2 17 1 1 {} {0.266706058761 0.541138871874 0.17293007423} H3 18 1 1 {} {0.27253371328 0.371807158066 0.360288940384} H4 19 1 1 {} {0.309415280029 0.375768901724 0.267602878287} H5 20 1 1 {} {0.250913331614 0.377644662738 0.24968777596} H6 21 1 1 {} {0.120968720268 0.459862308113 0.194461877296} H7 22 1 1 {} {0.131958186256 0.435936241079 0.306680966684} H8 23 1 1 {} {0.16989870532 0.413902813561 0.220884002034} H9 24 1 1 {} {0.185043675129 0.582333807172 0.124746380665} H10 25 1 1 {} {0.115295340403 0.582219608229 0.315228287789} H11 26 1 1 {} {0.387506652579 0.557104832737 0.287542257664} H12 27 1 1 {} {0.369976815548 0.596002304151 0.438568021845} H13 28 1 1 {} {0.484312744453 0.420255313114 0.430896069973} H14 29 1 1 {} {0.462402715707 0.4553591416 0.281461051841} H15 30 1 1 {} {0.353983019244 0.3708530899 0.461653214534} H16 31 1 1 {} {0.424935677032 0.385788402999 0.541229142446} H17 32 1 1 {} {0.324732203843 0.474316248309 0.576384557804} H18 33 1 1 {} {0.372379411616 0.488220804616 0.631350853457} H19 34 1 1 {} {0.505133112466 0.567332867222 0.338404151974} H20 35 1 1 {} {0.488091276548 0.574542492377 0.444428355092} H21 36 1 6 {} {0.634473028892 0.640900356929 0.469444745747} C4 37 1 14 {} {0.594980656609 0.577059174511 0.421509512067} Si6 38 1 14 {} {0.632105006361 0.727536129938 0.424576121237} Si7 39 1 8 {} {0.592714832892 0.585338196422 0.31186307777} O5 40 1 8 {} {0.614665893691 0.502300057166 0.445780164441} O6 41 1 6 {} {0.537880510343 0.583203885695 0.470537126632} C5 42 1 6 {} {0.584530497654 0.777987421054 0.469291582681} C6 43 1 8 {} {0.627784731507 0.71680430859 0.314125301573} O7 44 1 8 {} {0.679751979703 0.768893268409 0.440253201103} O8 45 1 14 {} {0.625293011831 0.424442762103 0.417889400297} Si8 46 1 7 {} {0.579956681842 0.372246209012 0.43600413344} N4 47 1 14 {} {0.560400049322 0.323051510147 0.347497110187} Si9 48 1 14 {} {0.555303398611 0.368955119126 0.542531320424} Si10 49 1 7 {} {0.59049669389 0.387704816387 0.629459623482} N5 50 1 7 {} {0.595451323278 0.26035481748 0.310236310779} N6 51 1 1 {} {0.630333351876 0.642440285926 0.542520057686} H22 52 1 1 {} {0.668533759125 0.622074937302 0.456984265566} H23 53 1 1 {} {0.60501406608 0.627700526382 0.290060575768} H24 54 1 1 {} {0.538061251532 0.573228560097 0.542684097369} H25 55 1 1 {} {0.515799772454 0.546258127124 0.438760674653} H26 56 1 1 {} {0.523459724621 0.633177648137 0.459720544862} H27 57 1 1 {} {0.583784622931 0.828426477946 0.439919777772} H28 58 1 1 {} {0.586595289837 0.783512185645 0.542222181353} H29 59 1 1 {} {0.552468838534 0.753819894081 0.454090996243} H30 60 1 1 {} {0.635836634926 0.754179116223 0.276172173745} H31 61 1 1 {} {0.680080876016 0.803943533639 0.484869434326} H32 62 1 1 {} {0.636839020885 0.419376269914 0.321158284269} H33 63 1 1 {} {0.664469969054 0.404056625236 0.472673297907} H34 64 1 1 {} {0.518630662447 0.291014979581 0.3803880588} H35 65 1 1 {} {0.552244215622 0.365900266459 0.267920260109} H36 66 1 1 {} {0.518114377134 0.418345340573 0.548689848554} H37 67 1 1 {} {0.53808059952 0.299553546026 0.554216485475} H38 68 1 1 {} {0.59708281154 0.43629619977 0.644423040533} H39 69 1 1 {} {0.617510438462 0.358595946519 0.64254945726} H40 70 1 1 {} {0.62007111069 0.271403877744 0.265989415569} H41 71 1 1 {} {0.60500762463 0.222576268805 0.351487585078} 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