#MD System 2.0 @Title neb0_image01 @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 {} {0.20249885088 0.529220104593 0.305624995005} C1 1 1 14 {} {0.256420737237 0.492198414259 0.263844414431} Si1 2 1 14 {} {0.155815587893 0.537651474342 0.224639958707} Si2 3 1 8 {} {0.269003403125 0.525272127506 0.166023357999} O1 4 1 8 {} {0.296464636556 0.512357546364 0.334678211627} O2 5 1 6 {} {0.254476914982 0.399021140653 0.256834726518} C2 6 1 6 {} {0.124259772204 0.457966269805 0.206919413133} C3 7 1 8 {} {0.180323540925 0.563416464825 0.130316482622} O3 8 1 8 {} {0.120496425086 0.59878077948 0.251709628187} O4 9 1 14 {} {0.347914471871 0.541374790263 0.339884415948} Si3 10 1 7 {} {0.382678083496 0.478541016008 0.381567908746} N1 11 1 14 {} {0.437099080899 0.476917156245 0.340719848138} Si4 12 1 14 {} {0.362294230047 0.424302783085 0.464273976775} Si5 13 1 7 {} {0.333126790638 0.46204955591 0.549707067156} N2 14 1 7 {} {0.459095659004 0.556615425598 0.346910502125} N3 15 1 1 {} {0.190890168779 0.50057267859 0.364083627439} H1 16 1 1 {} {0.210375072627 0.580052889225 0.329770180226} H2 17 1 1 {} {0.243517131035 0.545442361563 0.13523087884} H3 18 1 1 {} {0.249318558588 0.375986127293 0.322632228092} H4 19 1 1 {} {0.286187085934 0.379943663094 0.230098694658} H5 20 1 1 {} {0.227695619333 0.381926685541 0.212165264654} H6 21 1 1 {} {0.0977484733787 0.464192055955 0.156862641318} H7 22 1 1 {} {0.108726501139 0.440253087843 0.269117628041} H8 23 1 1 {} {0.14666337117 0.418156912507 0.183315681123} H9 24 1 1 {} {0.161817877608 0.586606647691 0.087217862938} H10 25 1 1 {} {0.0920995477471 0.586425404915 0.277689185862} H11 26 1 1 {} {0.364302800087 0.561404778758 0.250046991933} H12 27 1 1 {} {0.346768557078 0.60022417758 0.4009268224} H13 28 1 1 {} {0.461077432954 0.424468060027 0.393230533777} H14 29 1 1 {} {0.439188406225 0.459600302579 0.243947679262} H15 30 1 1 {} {0.330806573831 0.375146473785 0.424039523741} H16 31 1 1 {} {0.401750662651 0.390016800364 0.503593271123} H17 32 1 1 {} {0.301508623558 0.478555909038 0.538778591661} H18 33 1 1 {} {0.349093775426 0.492492964209 0.593685539855} H19 34 1 1 {} {0.481929923465 0.571589097352 0.300931835787} H20 35 1 1 {} {0.464960639219 0.578845221978 0.40680604367} H21 36 1 6 {} {0.657675898196 0.636677486296 0.507010253395} C4 37 1 14 {} {0.618192202777 0.572813381072 0.459137920663} Si6 38 1 14 {} {0.655297156121 0.723289984369 0.462109003193} Si7 39 1 8 {} {0.615970203823 0.581055197591 0.349481649191} O5 40 1 8 {} {0.637972354561 0.498097988801 0.483486544645} O6 41 1 6 {} {0.561071019544 0.578918739111 0.508232805899} C5 42 1 6 {} {0.607741485202 0.773771771343 0.506893572245} C6 43 1 8 {} {0.651199593736 0.712479098731 0.351627056907} O7 44 1 8 {} {0.7028831249 0.764757989966 0.477771031375} O8 45 1 14 {} {0.648536739893 0.42021820783 0.455554501565} Si8 46 1 7 {} {0.603175933371 0.368027499855 0.473603636077} N4 47 1 14 {} {0.583606333868 0.318822052653 0.385103691811} Si9 48 1 14 {} {0.578495695962 0.364643797051 0.580104204265} Si10 49 1 7 {} {0.613676860384 0.383425342591 0.667087740356} N5 50 1 7 {} {0.618626721209 0.256110956098 0.347812846718} N6 51 1 1 {} {0.653581892444 0.638197316364 0.580091322936} H22 52 1 1 {} {0.691756463327 0.617948223453 0.494550943074} H23 53 1 1 {} {0.62822083316 0.623446039736 0.327595937381} H24 54 1 1 {} {0.561178584715 0.569008983796 0.580401055857} H25 55 1 1 {} {0.538988831617 0.541982310807 0.476442982263} H26 56 1 1 {} {0.546617262832 0.628863988291 0.497343463344} H27 57 1 1 {} {0.606979764386 0.824194017581 0.477482062696} H28 58 1 1 {} {0.609798417876 0.77928199154 0.579845102311} H29 59 1 1 {} {0.57567628749 0.749615576129 0.491723492619} H30 60 1 1 {} {0.659094000484 0.749948036267 0.313688128267} H31 61 1 1 {} {0.703282971175 0.799736655107 0.522486817287} H32 62 1 1 {} {0.660045085909 0.415122003924 0.358782819926} H33 63 1 1 {} {0.687716073782 0.399771693851 0.510364497669} H34 64 1 1 {} {0.541821594542 0.286823750511 0.417955486652} H35 65 1 1 {} {0.575444658665 0.36163552132 0.305521288549} H36 66 1 1 {} {0.541265336816 0.414001375878 0.586323976986} H37 67 1 1 {} {0.561327346649 0.295182209744 0.591780321628} H38 68 1 1 {} {0.620270446932 0.432024941178 0.681936401777} H39 69 1 1 {} {0.640725573529 0.354371098256 0.680194820538} H40 70 1 1 {} {0.643220007655 0.267163220931 0.303485646538} H41 71 1 1 {} {0.628150114909 0.218287171084 0.388969485556} 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