#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 {} {0.205092754435 0.528695486248 0.309849103841} C1 1 1 14 {} {0.259033886384 0.491730358016 0.267999353007} Si1 2 1 14 {} {0.158386777914 0.537220403993 0.228879265347} Si2 3 1 8 {} {0.271657647043 0.524943568494 0.170258906707} O1 4 1 8 {} {0.298978091676 0.511997226591 0.339017429024} O2 5 1 6 {} {0.257058397206 0.3985324549 0.260988663085} C2 6 1 6 {} {0.12686009838 0.457492581317 0.211098044964} C3 7 1 8 {} {0.182890212622 0.563013066991 0.134575053166} O3 8 1 8 {} {0.123041488448 0.598388637825 0.255708379914} O4 9 1 14 {} {0.350477974281 0.540908169608 0.344065156616} Si3 10 1 7 {} {0.385223669335 0.478000696363 0.385699974821} N1 11 1 14 {} {0.439671453438 0.476475871968 0.344867015575} Si4 12 1 14 {} {0.364838047057 0.423814743212 0.468499993561} Si5 13 1 7 {} {0.335724510108 0.461647472179 0.553906301086} N2 14 1 7 {} {0.461643671156 0.556209168026 0.351052570987} N3 15 1 1 {} {0.193474400796 0.500102656948 0.368356040421} H1 16 1 1 {} {0.212906869419 0.579534080253 0.334051195227} H2 17 1 1 {} {0.246075522709 0.544930227092 0.139517681864} H3 18 1 1 {} {0.251902961495 0.375598236334 0.326876306685} H4 19 1 1 {} {0.288784505277 0.379559804642 0.234191107988} H5 20 1 1 {} {0.230282641362 0.381436073506 0.216276055794} H6 21 1 1 {} {0.100337923248 0.463653876331 0.16104964313} H7 22 1 1 {} {0.111327295504 0.439727636647 0.273269084052} H8 23 1 1 {} {0.149267977635 0.417694015329 0.187471877735} H9 24 1 1 {} {0.16441285971 0.58612502294 0.0913346765655} H10 25 1 1 {} {0.0946647322836 0.586010831347 0.28181624849} H11 26 1 1 {} {0.36687569416 0.560896135805 0.254131120965} H12 27 1 1 {} {0.349346006796 0.599793117519 0.405155293279} H13 28 1 1 {} {0.463681888001 0.424046613532 0.397483595541} H14 29 1 1 {} {0.441771993888 0.459150365568 0.248049413675} H15 30 1 1 {} {0.333352337725 0.374644441868 0.428241144702} H16 31 1 1 {} {0.40430494688 0.389579541667 0.50781687528} H17 32 1 1 {} {0.304101494158 0.478107592827 0.542972469572} H18 33 1 1 {} {0.351748168564 0.492011917884 0.597937944158} H19 34 1 1 {} {0.484502319681 0.57112423204 0.304992863342} H20 35 1 1 {} {0.467460555396 0.578334298795 0.411015813526} H21 36 1 6 {} {0.655103834745 0.637108372161 0.502856154913} C4 37 1 14 {} {0.615611384595 0.573267964743 0.454921569299} Si6 38 1 14 {} {0.652736290814 0.72374533807 0.457989223069} Si7 39 1 8 {} {0.613345292945 0.581546647854 0.345275759536} O5 40 1 8 {} {0.635297140577 0.498508882848 0.47919306914} O6 41 1 6 {} {0.558511418929 0.579412157577 0.503950854864} C5 42 1 6 {} {0.60516141504 0.774196595686 0.50270388978} C6 43 1 8 {} {0.648415502527 0.713012666622 0.347536830539} O7 44 1 8 {} {0.700382205456 0.765101950841 0.473664919535} O8 45 1 14 {} {0.645922875317 0.420651025585 0.451299815129} Si8 46 1 7 {} {0.600588133228 0.368456560094 0.469423182606} N4 47 1 14 {} {0.581032282842 0.319257297329 0.380907685753} Si9 48 1 14 {} {0.575931406997 0.365162267108 0.575930732523} Si10 49 1 7 {} {0.61112981531 0.383914747219 0.662874295114} N5 50 1 7 {} {0.616081219498 0.256564003012 0.343648650878} N6 51 1 1 {} {0.650964245729 0.638649047608 0.575932255385} H22 52 1 1 {} {0.689164488345 0.618284190784 0.490396368265} H23 53 1 1 {} {0.625644910966 0.623909541214 0.323472328} H24 54 1 1 {} {0.558691832152 0.569437657229 0.576096375668} H25 55 1 1 {} {0.536431100874 0.542466884606 0.472173316952} H26 56 1 1 {} {0.544090440641 0.629386274719 0.493132814561} H27 57 1 1 {} {0.604415343851 0.824635073128 0.473331749738} H28 58 1 1 {} {0.607226005057 0.779720963677 0.575634603185} H29 59 1 1 {} {0.57309951632 0.750028726363 0.487503152609} H30 60 1 1 {} {0.656467501712 0.750387965255 0.309583928311} H31 61 1 1 {} {0.700711628369 0.800152253771 0.518281378825} H32 62 1 1 {} {0.657469888805 0.415585043196 0.354570538301} H33 63 1 1 {} {0.685101007074 0.400265425568 0.506086340806} H34 64 1 1 {} {0.5392614815 0.287224241363 0.413800332099} H35 65 1 1 {} {0.572874937375 0.362109226591 0.301332408275} H36 66 1 1 {} {0.53874531142 0.414553858505 0.582103666386} H37 67 1 1 {} {0.558711716373 0.295761952608 0.587629955774} H38 68 1 1 {} {0.617713413893 0.432505090702 0.677835653832} H39 69 1 1 {} {0.638141467682 0.354804352051 0.675962478559} H40 70 1 1 {} {0.640701612443 0.267612670926 0.299401487468} H41 71 1 1 {} {0.625638014116 0.218785410087 0.384898698444} 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