#MD System 2.0 @Title neb0_image02 @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 {} {0.205042586049 0.528580795497 0.310384563077} C1 1 1 14 {} {0.258864031198 0.49173229812 0.268002340608} Si1 2 1 14 {} {0.158447025019 0.53734437214 0.229052489113} Si2 3 1 8 {} {0.271788243434 0.525815072878 0.170620849648} O1 4 1 8 {} {0.298406691463 0.511648255851 0.338997862184} O2 5 1 6 {} {0.257096470979 0.398417528139 0.260612624031} C2 6 1 6 {} {0.126905283157 0.457518164072 0.210896884491} C3 7 1 8 {} {0.183051959804 0.563343296013 0.134679526998} O3 8 1 8 {} {0.122905740738 0.598414807916 0.255028482693} O4 9 1 14 {} {0.350482852239 0.541172158799 0.343907210874} Si3 10 1 7 {} {0.385218869183 0.47745772456 0.385434200729} N1 11 1 14 {} {0.439763387665 0.476706426391 0.344817006215} Si4 12 1 14 {} {0.36467311303 0.423461904171 0.469211854605} Si5 13 1 7 {} {0.335832882848 0.461976810883 0.553673434198} N2 14 1 7 {} {0.461715853101 0.556661674595 0.351400005316} N3 15 1 1 {} {0.193427066607 0.499633625455 0.368496769417} H1 16 1 1 {} {0.21284981126 0.579565136003 0.334150454561} H2 17 1 1 {} {0.245844138098 0.544984341665 0.139487390625} H3 18 1 1 {} {0.252075582388 0.376024660173 0.326701563045} H4 19 1 1 {} {0.288870853785 0.379585364656 0.233940570084} H5 20 1 1 {} {0.230363461191 0.381354704663 0.216202312797} H6 21 1 1 {} {0.100229932298 0.463469894906 0.160946416272} H7 22 1 1 {} {0.111512842706 0.439730067062 0.273333122141} H8 23 1 1 {} {0.149428484619 0.417673593608 0.18733170717} H9 24 1 1 {} {0.164753919647 0.585915848308 0.0913757368502} H10 25 1 1 {} {0.0946929618968 0.586290870433 0.281375480594} H11 26 1 1 {} {0.366814264243 0.560746569745 0.25322216824} H12 27 1 1 {} {0.349316943472 0.599812030146 0.405073848649} H13 28 1 1 {} {0.463763577642 0.42422042577 0.398189571671} H14 29 1 1 {} {0.441780975919 0.459490486423 0.248024188827} H15 30 1 1 {} {0.333094826653 0.374579229324 0.428353796889} H16 31 1 1 {} {0.40397151266 0.389748060228 0.50763051291} H17 32 1 1 {} {0.303954897476 0.478456136489 0.543367982665} H18 33 1 1 {} {0.352003927842 0.491595151986 0.597629599906} H19 34 1 1 {} {0.484334218684 0.571257838572 0.304979513403} H20 35 1 1 {} {0.467825045359 0.578537976591 0.412345640887} H21 36 1 6 {} {0.655100973407 0.637401101482 0.503040966934} C4 37 1 14 {} {0.615508400872 0.573120195975 0.454394428903} Si6 38 1 14 {} {0.652725240262 0.723614757352 0.458154915597} Si7 39 1 8 {} {0.613926301215 0.581293415884 0.34436328729} O5 40 1 8 {} {0.634961087649 0.498221534676 0.479219355665} O6 41 1 6 {} {0.558338021979 0.579312648232 0.503224233638} C5 42 1 6 {} {0.60530960432 0.774007257187 0.502703990627} C6 43 1 8 {} {0.648510417828 0.713055338098 0.347350349093} O7 44 1 8 {} {0.700328277613 0.764177769117 0.473907497851} O8 45 1 14 {} {0.645525707743 0.420618318126 0.451797654485} Si8 46 1 7 {} {0.600311398118 0.36817893071 0.46903540169} N4 47 1 14 {} {0.581718966315 0.31884392659 0.382402313249} Si9 48 1 14 {} {0.575188784255 0.365484533676 0.575172764158} Si10 49 1 7 {} {0.612692871774 0.385118191377 0.666226252423} N5 50 1 7 {} {0.615698103429 0.257177935328 0.345268254605} N6 51 1 1 {} {0.65090964957 0.638649675386 0.576085803609} H22 52 1 1 {} {0.68889079047 0.617658942441 0.490823002883} H23 53 1 1 {} {0.625807362805 0.624218056041 0.323467798524} H24 54 1 1 {} {0.558861290641 0.569071827121 0.575141195094} H25 55 1 1 {} {0.535922845755 0.542840368448 0.471357416886} H26 56 1 1 {} {0.544048529119 0.629735788108 0.492947409805} H27 57 1 1 {} {0.604404311781 0.824362614506 0.473324155247} H28 58 1 1 {} {0.60727433991 0.779389713754 0.575583175217} H29 59 1 1 {} {0.573324857685 0.749878720621 0.487309997825} H30 60 1 1 {} {0.656389265863 0.750409645395 0.309882286544} H31 61 1 1 {} {0.700820790596 0.800278329142 0.518766452267} H32 62 1 1 {} {0.65762489761 0.415523155995 0.353544264928} H33 63 1 1 {} {0.685072443725 0.399988281598 0.506015919492} H34 64 1 1 {} {0.539105483178 0.286736284097 0.413503048469} H35 65 1 1 {} {0.572631536567 0.362196431993 0.300802450445} H36 66 1 1 {} {0.539042354659 0.414994991979 0.581541226863} H37 67 1 1 {} {0.558613388831 0.296037875817 0.587582848043} H38 68 1 1 {} {0.617697201268 0.429785099984 0.676963901262} H39 69 1 1 {} {0.637000760847 0.356125900695 0.674980169045} H40 70 1 1 {} {0.641417964816 0.268134488558 0.29875684849} H41 71 1 1 {} {0.625869354042 0.218737610622 0.386289326471} 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