#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 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849319630956 0.307778868799 0.0626187679518} Si1 1 0.0 1 14 {} {0.849870422853 0.385240242605 0.444384509091} Si2 2 0.0 1 14 {} {0.0992256461245 0.307499994213 0.192625799112} Si3 3 0.0 1 14 {} {0.0991876791501 0.38353082094 0.317625865889} Si4 4 0.0 1 14 {} {0.858505020763 0.542212403554 0.43861940615} Si5 5 0.0 1 14 {} {0.104081421868 0.537872819689 0.306046094217} Si6 6 0.0 1 14 {} {0.847918668629 0.458877754594 0.0663119917744} Si7 7 0.0 1 14 {} {0.845632419983 0.22983149267 0.442195797639} Si8 8 0.0 1 14 {} {0.0994919824479 0.458667006256 0.192603269537} Si9 9 0.0 1 14 {} {0.0954019462723 0.229085132914 0.313712288347} Si10 10 0.0 1 8 {} {0.356858972314 0.595998175869 0.515276714864} O1 11 0.0 1 14 {} {0.350173783442 0.661660729953 0.5176513508} Si11 12 0.0 1 8 {} {0.112750606418 0.589448781084 0.209200013405} O2 13 0.0 1 1 {} {0.0126652737668 0.594049352903 0.149622923797} H1 14 0.0 1 8 {} {0.334608354625 0.178070263385 0.540516856078} O3 15 0.0 1 1 {} {0.933536780751 0.175208955092 0.601150659059} H2 16 0.0 1 8 {} {0.0842899937166 0.177342021818 0.215943458329} O4 17 0.0 1 1 {} {0.18330464887 0.173812321811 0.155816132975} H3 18 0.0 1 14 {} {0.849804940755 0.308066802021 0.564951124381} Si12 19 0.0 1 14 {} {0.849526491485 0.384443980123 0.939080435059} Si13 20 0.0 1 14 {} {0.0995152410913 0.309219023235 0.694481015745} Si14 21 0.0 1 14 {} {0.100229512631 0.387680566382 0.813096055867} Si15 22 0.0 1 14 {} {0.851622125271 0.537211672143 0.950674457437} Si16 23 0.0 1 14 {} {0.102072100944 0.542518646064 0.821946201408} Si17 24 0.0 1 14 {} {0.850889231328 0.464300269137 0.560321636961} Si18 25 0.0 1 14 {} {0.845648575413 0.229104661868 0.942589980523} Si19 26 0.0 1 14 {} {0.100600446431 0.466190089285 0.691079813131} Si20 27 0.0 1 14 {} {0.0957730767795 0.230231673696 0.814897481315} Si21 28 0.0 1 8 {} {0.363842004106 0.589214683528 0.0465444729437} O5 29 0.0 1 1 {} {0.26337875663 0.593934498445 0.106383916697} H4 30 0.0 1 8 {} {0.115576018733 0.60357661765 0.780057151365} O6 31 0.0 1 1 {} {0.0916374877368 0.625299684912 0.705433237519} H5 32 0.0 1 8 {} {0.334518415906 0.177575405802 0.0410748319527} O7 33 0.0 1 1 {} {0.933574697786 0.173976136641 0.101067615501} H6 34 0.0 1 8 {} {0.084668472684 0.179625288634 0.713995186668} O8 35 0.0 1 1 {} {0.184216390321 0.175848889369 0.654235184645} H7 36 0.0 1 14 {} {0.349310175453 0.307788801096 0.0627338603876} Si22 37 0.0 1 14 {} {0.349806259551 0.385102463823 0.443491911888} Si23 38 0.0 1 14 {} {0.599386459025 0.307968707417 0.192595943679} Si24 39 0.0 1 14 {} {0.600436026998 0.383865316636 0.318193845246} Si25 40 0.0 1 14 {} {0.354101989477 0.542523851138 0.435867280405} Si26 41 0.0 1 14 {} {0.606667812575 0.540489947353 0.310479915619} Si27 42 0.0 1 14 {} {0.353098200672 0.458865876264 0.0682754457879} Si28 43 0.0 1 14 {} {0.345336867208 0.229552270098 0.442006436849} Si29 44 0.0 1 14 {} {0.6021624276 0.460334015574 0.197721007} Si30 45 0.0 1 14 {} {0.59556318049 0.229526899508 0.313882110284} Si31 46 0.0 1 8 {} {0.867562955609 0.591810812555 0.536312570804} O9 47 0.0 1 1 {} {0.949065470869 0.621832629209 0.528587513069} H8 48 0.0 1 8 {} {0.615184753212 0.591239260879 0.211571744524} O10 49 0.0 1 1 {} {0.514630484252 0.594941567044 0.151697818778} H9 50 0.0 1 8 {} {0.834373068832 0.178433016575 0.540912330313} O11 51 0.0 1 1 {} {0.43365683624 0.174691782998 0.600766936789} H10 52 0.0 1 8 {} {0.584744819421 0.177850149862 0.21591681555} O12 53 0.0 1 1 {} {0.683689630225 0.174249406432 0.155745455673} H11 54 0.0 1 14 {} {0.348941531795 0.307868063099 0.56469538968} Si32 55 0.0 1 14 {} {0.350737546296 0.384645084588 0.939772477551} Si33 56 0.0 1 14 {} {0.59925225942 0.308535428219 0.693590273062} Si34 57 0.0 1 14 {} {0.600067454029 0.386591374511 0.812259543851} Si35 58 0.0 1 14 {} {0.352109221994 0.536968822857 0.952624122293} Si36 59 0.0 1 14 {} {0.600228606452 0.540717406 0.820969378564} Si37 60 0.0 1 14 {} {0.351071969297 0.464446398271 0.560929692392} Si38 61 0.0 1 14 {} {0.345780544852 0.229105740243 0.942728467935} Si39 62 0.0 1 14 {} {0.601246497575 0.464717044087 0.691397445834} Si40 63 0.0 1 14 {} {0.595639416384 0.229839750527 0.814666783646} Si41 64 0.0 1 8 {} {0.861475962636 0.58984903458 0.043751551699} O13 65 0.0 1 1 {} {0.762976066256 0.594314938953 0.105135510182} H12 66 0.0 1 8 {} {0.597271203067 0.596177349787 0.744464379502} O14 67 0.0 1 14 {} {0.593574493377 0.661575227789 0.745265485089} Si42 68 0.0 1 8 {} {0.834583907598 0.177577805892 0.0409211966318} O15 69 0.0 1 1 {} {0.433547703498 0.17409985562 0.10121741329} H13 70 0.0 1 8 {} {0.5844711301 0.178992742113 0.714406686345} O16 71 0.0 1 1 {} {0.683822119296 0.175506379456 0.654377097457} H14 72 0.0 1 7 {} {0.44145365106 0.687550120401 0.650559284842} N 73 0.0 1 1 {} {0.440319064967 0.750807177914 0.652409526419} H16 74 0.0 1 9 {} {0.790124630693 0.679320496328 0.720157866091} F4 75 0.0 1 9 {} {0.274373840514 0.679360334595 0.38517159926} F5 76 0.0 1 9 {} {0.547678122308 0.679792450587 0.882260810331} F3 77 0.0 1 9 {} {0.139545774946 0.665012425587 0.578407339663} F1 78 0.0 1 9 {} {0.435409371826 0.790282682399 0.660236619797} F2 79 0.0 1 9 {} {0.557645974137 0.675507659326 0.471284773456} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {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