#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 {} {0.221106663527 0.52576666051 0.335741074652} C1 1 1 14 {} {0.275038245651 0.488819594796 0.294000521838} Si1 2 1 14 {} {0.174446629931 0.534239537312 0.254777110102} Si2 3 1 8 {} {0.28758567417 0.521787699229 0.196062436419} O1 4 1 8 {} {0.314843446311 0.509222508234 0.364891006841} O2 5 1 6 {} {0.273061347009 0.395582661848 0.286936298829} C2 6 1 6 {} {0.142855417843 0.454553590799 0.237007509574} C3 7 1 8 {} {0.198921422294 0.560257829703 0.160502116635} O3 8 1 8 {} {0.139041272705 0.595309097228 0.281750166522} O4 9 1 14 {} {0.366321264518 0.538256269894 0.369666563786} Si3 10 1 7 {} {0.400094180142 0.47439990662 0.412053767663} N1 11 1 14 {} {0.454136876441 0.472791313923 0.367693136837} Si4 12 1 14 {} {0.380609175564 0.420430124328 0.494829372938} Si5 13 1 7 {} {0.351616777322 0.458626029097 0.580228637757} N2 14 1 7 {} {0.470846978864 0.554920517512 0.365934256163} N3 15 1 1 {} {0.209478817551 0.497162491427 0.394231286992} H1 16 1 1 {} {0.228957387 0.576622309711 0.359902142351} H2 17 1 1 {} {0.262098533414 0.541991095697 0.165352322382} H3 18 1 1 {} {0.267892057585 0.372583667384 0.352766598023} H4 19 1 1 {} {0.304777684416 0.376531769054 0.260168526604} H5 20 1 1 {} {0.246279173882 0.378521039926 0.24222150893} H6 21 1 1 {} {0.116339877468 0.460767139703 0.186958940637} H7 22 1 1 {} {0.127313119642 0.436834418903 0.299204937735} H8 23 1 1 {} {0.165243254591 0.414727630311 0.213406943342} H9 24 1 1 {} {0.180371666316 0.58321016966 0.117266611102} H10 25 1 1 {} {0.110661833138 0.58296105601 0.30780443985} H11 26 1 1 {} {0.382734117997 0.557901164083 0.280057298507} H12 27 1 1 {} {0.365406898748 0.596782089613 0.431088688843} H13 28 1 1 {} {0.479595653959 0.422647375037 0.422182901787} H14 29 1 1 {} {0.457517232735 0.453878214226 0.270878099993} H15 30 1 1 {} {0.349366769331 0.371656008387 0.454273244847} H16 31 1 1 {} {0.420334096482 0.386699061956 0.533550263312} H17 32 1 1 {} {0.319979883789 0.475229256865 0.568824340334} H18 33 1 1 {} {0.367725758507 0.489208260587 0.624053537109} H19 34 1 1 {} {0.498096413083 0.566887159428 0.329499291982} H20 35 1 1 {} {0.474394198031 0.576586049532 0.427104198238} H21 36 1 6 {} {0.640566795399 0.640890814933 0.476954528005} C4 37 1 14 {} {0.602120082376 0.577204447851 0.430312835144} Si6 38 1 14 {} {0.636881630623 0.726942655187 0.431856065833} Si7 39 1 8 {} {0.596657210545 0.58489566077 0.32121625494} O5 40 1 8 {} {0.619690715091 0.501145381652 0.453101468796} O6 41 1 6 {} {0.546511593558 0.584239164116 0.485729657277} C5 42 1 6 {} {0.589194769185 0.777088334297 0.476752905304} C6 43 1 8 {} {0.632533970676 0.715837014036 0.32156203643} O7 44 1 8 {} {0.684428554927 0.76824749446 0.447623581583} O8 45 1 14 {} {0.630046049075 0.423312772459 0.425367433046} Si8 46 1 7 {} {0.584538198749 0.371305389795 0.443361319433} N4 47 1 14 {} {0.564996533321 0.322252443373 0.355009692919} Si9 48 1 14 {} {0.560001505137 0.367961275006 0.550392331945} Si10 49 1 7 {} {0.595365468524 0.386839704552 0.636741971391} N5 50 1 7 {} {0.599935163915 0.259323418562 0.317419493482} N6 51 1 1 {} {0.635025944153 0.641461617182 0.549574387449} H22 52 1 1 {} {0.674271501119 0.62180117281 0.464589242127} H23 53 1 1 {} {0.609292083234 0.626446731745 0.297849201506} H24 54 1 1 {} {0.545009790257 0.574115194285 0.557719902881} H25 55 1 1 {} {0.529482483571 0.542353694405 0.454063679956} H26 56 1 1 {} {0.529668627523 0.631159917902 0.469184445444} H27 57 1 1 {} {0.588422067705 0.827550972727 0.447361948574} H28 58 1 1 {} {0.591219439032 0.78268471315 0.549690314781} H29 59 1 1 {} {0.55709852986 0.753045504818 0.461600511371} H30 60 1 1 {} {0.640445025614 0.753274854175 0.283600207258} H31 61 1 1 {} {0.684719814221 0.803204789489 0.492363401596} H32 62 1 1 {} {0.64144371739 0.418575880352 0.328721030486} H33 63 1 1 {} {0.669158515363 0.403286789505 0.480283440132} H34 64 1 1 {} {0.523325565553 0.290217062789 0.387942585892} H35 65 1 1 {} {0.556881313118 0.364979486809 0.275745603962} H36 66 1 1 {} {0.522857890003 0.417537496291 0.557149738895} H37 67 1 1 {} {0.542694764706 0.29861287128 0.561776725285} H38 68 1 1 {} {0.601643114599 0.435216340662 0.651932413159} H39 69 1 1 {} {0.622121082974 0.357829392433 0.650154873962} H40 70 1 1 {} {0.62472828323 0.270600537574 0.273288840043} H41 71 1 1 {} {0.609610261253 0.221511190136 0.358943953369} 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