#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 {} {0.202644618959 0.529232627241 0.305229106088} C1 1 1 14 {} {0.256487344517 0.491844384249 0.263474579842} Si1 2 1 14 {} {0.15587574444 0.537613907048 0.224624361449} Si2 3 1 8 {} {0.268874541879 0.524331754915 0.165232722492} O1 4 1 8 {} {0.296685297354 0.511964681576 0.334001115927} O2 5 1 6 {} {0.254347050477 0.39858516803 0.257016135638} C2 6 1 6 {} {0.124185176475 0.458039346815 0.206975666254} C3 7 1 8 {} {0.180176467732 0.563163460369 0.130028804147} O3 8 1 8 {} {0.120773916086 0.598589353047 0.252509758483} O4 9 1 14 {} {0.348022307411 0.541378097842 0.339827157954} Si3 10 1 7 {} {0.382851844765 0.478758767803 0.381852067167} N1 11 1 14 {} {0.437305420723 0.476823754713 0.340936073936} Si4 12 1 14 {} {0.362358104841 0.424262596883 0.46431227509} Si5 13 1 7 {} {0.332920271823 0.461748394197 0.549636996017} N2 14 1 7 {} {0.459403833314 0.556370888642 0.347557237439} N3 15 1 1 {} {0.190901259429 0.500854272445 0.36387806886} H1 16 1 1 {} {0.210523153887 0.580156755879 0.329187508694} H2 17 1 1 {} {0.243510977862 0.545415863694 0.134861588536} H3 18 1 1 {} {0.249139666095 0.375572705426 0.3228042684} H4 19 1 1 {} {0.28604683193 0.379567306888 0.230279983303} H5 20 1 1 {} {0.227544172335 0.381795228703 0.212190884372} H6 21 1 1 {} {0.0977162173354 0.464497436595 0.156893585046} H7 22 1 1 {} {0.108536738822 0.440557807693 0.269139539306} H8 23 1 1 {} {0.146378551518 0.417990337466 0.183386940238} H9 24 1 1 {} {0.161645441543 0.586804554497 0.0872082858444} H10 25 1 1 {} {0.0921308063539 0.585901884346 0.277996259791} H11 26 1 1 {} {0.364516624758 0.561640732444 0.250245396877} H12 27 1 1 {} {0.346627214913 0.600083698921 0.400861516751} H13 28 1 1 {} {0.461016774454 0.424002238807 0.393016119731} H14 29 1 1 {} {0.439155183466 0.459567679818 0.244182434202} H15 30 1 1 {} {0.330971875891 0.375147027734 0.4236061726} H16 31 1 1 {} {0.40188277919 0.389889658377 0.503400416471} H17 32 1 1 {} {0.301372115607 0.478052557376 0.53824762284} H18 33 1 1 {} {0.348829471847 0.492641116289 0.593504193882} H19 34 1 1 {} {0.482203117666 0.571474831014 0.300851282102} H20 35 1 1 {} {0.465302145615 0.578733687913 0.406783001384} H21 36 1 6 {} {0.657716101609 0.637183541713 0.507090335242} C4 37 1 14 {} {0.618239165552 0.572938824714 0.459665870907} Si6 38 1 14 {} {0.655332272204 0.723557127179 0.461842571821} Si7 39 1 8 {} {0.616035045103 0.581019030717 0.349888648881} O5 40 1 8 {} {0.638363046155 0.498437223509 0.484077615805} O6 41 1 6 {} {0.561031760009 0.578832433548 0.508613055938} C5 42 1 6 {} {0.607675601599 0.773972743123 0.506498438332} C6 43 1 8 {} {0.652041919405 0.71234241399 0.351406599738} O7 44 1 8 {} {0.702787798975 0.765759435028 0.477499666435} O8 45 1 14 {} {0.6486139666 0.420375567439 0.456072802945} Si8 46 1 7 {} {0.60319401455 0.368288763931 0.473683578081} N4 47 1 14 {} {0.58354925298 0.319213458008 0.385179101945} Si9 48 1 14 {} {0.578493735352 0.364338836258 0.580166072025} Si10 49 1 7 {} {0.61352438882 0.383299916826 0.667382876477} N5 50 1 7 {} {0.618383400556 0.256461048989 0.347508337546} N6 51 1 1 {} {0.653771502015 0.63858534086 0.580157475875} H22 52 1 1 {} {0.691812712347 0.618611446729 0.494170342916} H23 53 1 1 {} {0.6282488498 0.623210508777 0.327730795129} H24 54 1 1 {} {0.560839312467 0.569236736324 0.580890415435} H25 55 1 1 {} {0.538971109457 0.541739822098 0.477065317049} H26 56 1 1 {} {0.546418106457 0.628627577006 0.497406780261} H27 57 1 1 {} {0.606865947988 0.824558371644 0.477394063955} H28 58 1 1 {} {0.609922995397 0.779495905774 0.579493957958} H29 59 1 1 {} {0.575486145761 0.749938798034 0.491895173862} H30 60 1 1 {} {0.659446988319 0.749965464894 0.313462619901} H31 61 1 1 {} {0.703131957801 0.800152989248 0.522904456623} H32 62 1 1 {} {0.660123942427 0.415317297481 0.359235738815} H33 63 1 1 {} {0.687825207507 0.399707334956 0.510857909647} H34 64 1 1 {} {0.541696445118 0.287386521527 0.418031251119} H35 65 1 1 {} {0.575400535011 0.361919556885 0.305497154729} H36 66 1 1 {} {0.540981631365 0.413160539415 0.586555358771} H37 67 1 1 {} {0.561653754672 0.294633660857 0.591548680444} H38 68 1 1 {} {0.620061461978 0.432212922901 0.681516974407} H39 69 1 1 {} {0.640653007317 0.354553150732 0.680421184683} H40 70 1 1 {} {0.642764759933 0.267185852172 0.303005563147} H41 71 1 1 {} {0.627756961386 0.218028334473 0.388252287657} 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