#MD System 2.0 @Title neb0_image05 @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 {} {0.214102535806 0.527093723475 0.323412086198} C1 1 1 14 {} {0.267925358843 0.489663694502 0.282431114995} Si1 2 1 14 {} {0.167428977597 0.53525386449 0.243152612564} Si2 3 1 8 {} {0.280433998831 0.52052262092 0.183233584046} O1 4 1 8 {} {0.306806776062 0.51161007799 0.353956360815} O2 5 1 6 {} {0.265932027285 0.396350443288 0.276161647217} C2 6 1 6 {} {0.135950658073 0.455585928805 0.225401793983} C3 7 1 8 {} {0.191488130148 0.562144416341 0.148809949087} O3 8 1 8 {} {0.13188570952 0.595684569391 0.272103324949} O4 9 1 14 {} {0.358524506674 0.539546846676 0.358099466114} Si3 10 1 7 {} {0.392035447232 0.474648923554 0.398001674089} N1 11 1 14 {} {0.444714372933 0.472904638668 0.34909755368} Si4 12 1 14 {} {0.3733301223 0.421434310011 0.482461689414} Si5 13 1 7 {} {0.344501205129 0.459603695854 0.568713383362} N2 14 1 7 {} {0.458115750383 0.556816045775 0.341006899643} N3 15 1 1 {} {0.202653894595 0.49884763101 0.382250110558} H1 16 1 1 {} {0.222316692877 0.577876209447 0.347279284203} H2 17 1 1 {} {0.255490406757 0.542921486593 0.153207417844} H3 18 1 1 {} {0.260515740899 0.372994575686 0.341699665053} H4 19 1 1 {} {0.297569951908 0.377055463924 0.249246096042} H5 20 1 1 {} {0.239158716609 0.379819683694 0.231083289781} H6 21 1 1 {} {0.109465746976 0.462205211096 0.175512732839} H7 22 1 1 {} {0.120301268742 0.438422274333 0.287685798296} H8 23 1 1 {} {0.157907045168 0.415205103015 0.202009090286} H9 24 1 1 {} {0.172677713719 0.584941205427 0.10613408532} H10 25 1 1 {} {0.103622992823 0.582450093473 0.297611809043} H11 26 1 1 {} {0.374634786021 0.559288310876 0.268859948092} H12 27 1 1 {} {0.358402879141 0.597820859642 0.420579354526} H13 28 1 1 {} {0.472773160324 0.4293758897 0.405508532786} H14 29 1 1 {} {0.44726358293 0.446146731737 0.255366481973} H15 30 1 1 {} {0.341806713811 0.371533265726 0.444375758073} H16 31 1 1 {} {0.413183879006 0.387916451059 0.522013972455} H17 32 1 1 {} {0.312808572308 0.476350457679 0.557488278583} H18 33 1 1 {} {0.360137431563 0.490738411975 0.612324230363} H19 34 1 1 {} {0.488630168713 0.565455819458 0.313498187116} H20 35 1 1 {} {0.455960314722 0.581906670634 0.399668623219} H21 36 1 6 {} {0.651332030038 0.640374679903 0.48837015477} C4 37 1 14 {} {0.610980851778 0.576817567135 0.446232190072} Si6 38 1 14 {} {0.645079337233 0.726567147027 0.442753016716} Si7 39 1 8 {} {0.600746147051 0.585435527974 0.339234542203} O5 40 1 8 {} {0.62975250827 0.500686338532 0.465471466328} O6 41 1 6 {} {0.557500564158 0.581486373841 0.507185133746} C5 42 1 6 {} {0.596635652527 0.775931007089 0.487830825565} C6 43 1 8 {} {0.639888435738 0.715136892907 0.332619180228} O7 44 1 8 {} {0.692120040148 0.769933031858 0.45682243039} O8 45 1 14 {} {0.637778907079 0.42225779936 0.437273174954} Si8 46 1 7 {} {0.591823352371 0.37085313603 0.454812257042} N4 47 1 14 {} {0.571782527883 0.321387652518 0.365742862714} Si9 48 1 14 {} {0.567213324946 0.366228018918 0.561834308259} Si10 49 1 7 {} {0.60244783159 0.385809166661 0.647670753921} N5 50 1 7 {} {0.606222206464 0.257915307909 0.328077127037} N6 51 1 1 {} {0.645391838981 0.641695306429 0.561009650723} H22 52 1 1 {} {0.686266108165 0.625047429431 0.477503659105} H23 53 1 1 {} {0.614539292049 0.624071444233 0.311108629396} H24 54 1 1 {} {0.559281654222 0.579223283937 0.580509031653} H25 55 1 1 {} {0.540481601074 0.536737223948 0.482182931037} H26 56 1 1 {} {0.538277538319 0.626202413955 0.487896396838} H27 57 1 1 {} {0.595579384769 0.82652165378 0.458495787903} H28 58 1 1 {} {0.598556933255 0.781910219073 0.560806918979} H29 59 1 1 {} {0.564410123561 0.751991590035 0.472907081059} H30 60 1 1 {} {0.64757223881 0.751959917953 0.29335296332} H31 61 1 1 {} {0.692278363748 0.803523587902 0.50389545951} H32 62 1 1 {} {0.648528468853 0.417298569328 0.340516479007} H33 63 1 1 {} {0.676782569972 0.401406292111 0.492043830507} H34 64 1 1 {} {0.530233719269 0.289257035248 0.399986769736} H35 65 1 1 {} {0.56389983422 0.364136522916 0.287113812542} H36 66 1 1 {} {0.529422409321 0.415324198933 0.569336677444} H37 67 1 1 {} {0.55003645041 0.296957258399 0.572779770079} H38 68 1 1 {} {0.608245744096 0.434210324934 0.663592774043} H39 69 1 1 {} {0.629329432438 0.356485387328 0.661714929375} H40 70 1 1 {} {0.631107384592 0.26904372659 0.283646877011} H41 71 1 1 {} {0.615695747203 0.219344257106 0.368032429186} 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