#MD System 2.0 @Title neb0_image09 @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 {} {0.224458990779 0.5244680162 0.342918267065} C1 1 1 14 {} {0.277602614776 0.486618573684 0.302242039628} Si1 2 1 14 {} {0.177953118154 0.533905392825 0.261785443388} Si2 3 1 8 {} {0.290836401604 0.51915612005 0.205104831165} O1 4 1 8 {} {0.319617878269 0.510197336997 0.369437180331} O2 5 1 6 {} {0.277176168841 0.394998878226 0.294810491463} C2 6 1 6 {} {0.146751392912 0.453842771106 0.243474256194} C3 7 1 8 {} {0.202640447151 0.560350045466 0.167595699848} O3 8 1 8 {} {0.141781919475 0.594688045478 0.288502237004} O4 9 1 14 {} {0.370848729518 0.540572445828 0.378607359006} Si3 10 1 7 {} {0.401130776249 0.472149131413 0.407977103379} N1 11 1 14 {} {0.454376701411 0.474110061311 0.349852079858} Si4 12 1 14 {} {0.382079137634 0.415918631673 0.502394405065} Si5 13 1 7 {} {0.355133457218 0.461541761983 0.586978264156} N2 14 1 7 {} {0.456362648328 0.542544734354 0.355958800376} N3 15 1 1 {} {0.212722668745 0.496394330395 0.401670246287} H1 16 1 1 {} {0.23273558373 0.57559027802 0.366032540391} H2 17 1 1 {} {0.267156775135 0.541296088798 0.172939950231} H3 18 1 1 {} {0.272278031864 0.371584767232 0.359794267359} H4 19 1 1 {} {0.308974210996 0.376617961679 0.268236775404} H5 20 1 1 {} {0.251182601236 0.377045199839 0.250268530972} H6 21 1 1 {} {0.120161880925 0.45915423918 0.193228228431} H7 22 1 1 {} {0.13162237473 0.436183088658 0.306297642658} H8 23 1 1 {} {0.169731577368 0.414239497379 0.220541010107} H9 24 1 1 {} {0.184771467982 0.583006667856 0.124014301096} H10 25 1 1 {} {0.114413610723 0.581936752186 0.316156082901} H11 26 1 1 {} {0.385206939114 0.573392211194 0.277124480618} H12 27 1 1 {} {0.370652461392 0.592044938781 0.436615547875} H13 28 1 1 {} {0.478281969667 0.434436376596 0.40549937502} H14 29 1 1 {} {0.453271101867 0.445492929421 0.276941550428} H15 30 1 1 {} {0.351029432408 0.364357654419 0.465478297482} H16 31 1 1 {} {0.42618856938 0.386567742074 0.53741714371} H17 32 1 1 {} {0.321363762942 0.472879453067 0.573972432192} H18 33 1 1 {} {0.375463560986 0.487228636892 0.630760568447} H19 34 1 1 {} {0.476598862818 0.558658335559 0.314070086752} H20 35 1 1 {} {0.434049364116 0.571783402161 0.378979927797} H21 36 1 6 {} {0.643260876123 0.659045410988 0.472478530146} C4 37 1 14 {} {0.606940370584 0.578655803277 0.443296339392} Si6 38 1 14 {} {0.632169963849 0.737792492005 0.421825011188} Si7 39 1 8 {} {0.594284172223 0.588445899883 0.334685829893} O5 40 1 8 {} {0.621438984362 0.499801871343 0.438055391844} O6 41 1 6 {} {0.555197781073 0.583496765063 0.510662239913} C5 42 1 6 {} {0.586682074746 0.77597151305 0.469995808896} C6 43 1 8 {} {0.631577982956 0.71450753943 0.314193633627} O7 44 1 8 {} {0.678828622364 0.770421924651 0.438676706125} O8 45 1 14 {} {0.627807227286 0.418627477207 0.418668280763} Si8 46 1 7 {} {0.579158770106 0.372646367788 0.435897807397} N4 47 1 14 {} {0.561665615046 0.32392128051 0.349742944982} Si9 48 1 14 {} {0.557013071859 0.369998990683 0.544476857051} Si10 49 1 7 {} {0.592738405052 0.386004221042 0.630929383385} N5 50 1 7 {} {0.595548402218 0.261584350129 0.311706814004} N6 51 1 1 {} {0.636688122309 0.645243263068 0.545523176907} H22 52 1 1 {} {0.677156879657 0.623988233459 0.450240426391} H23 53 1 1 {} {0.601815031643 0.624606597048 0.302940941658} H24 54 1 1 {} {0.552818720271 0.582463223705 0.565198752496} H25 55 1 1 {} {0.552610781371 0.544650200235 0.486273311604} H26 56 1 1 {} {0.539155367948 0.620574285124 0.494008874343} H27 57 1 1 {} {0.586727947074 0.824510506708 0.439246162721} H28 58 1 1 {} {0.588042936294 0.781949850288 0.542254828335} H29 59 1 1 {} {0.556458779825 0.749910950247 0.453273868219} H30 60 1 1 {} {0.635975176828 0.754009373961 0.279303224581} H31 61 1 1 {} {0.681384148481 0.808006264789 0.484025324856} H32 62 1 1 {} {0.637595914812 0.418581043173 0.320818961856} H33 63 1 1 {} {0.666647289532 0.398169818951 0.472460097459} H34 64 1 1 {} {0.520552546151 0.293050286088 0.382143943477} H35 65 1 1 {} {0.552448653625 0.366658393697 0.269444299977} H36 66 1 1 {} {0.520280195042 0.416988996925 0.55281802351} H37 67 1 1 {} {0.539484947233 0.300115663454 0.553616025384} H38 68 1 1 {} {0.59788841738 0.43538141875 0.647694510098} H39 69 1 1 {} {0.619134611542 0.358317327189 0.642963903765} H40 70 1 1 {} {0.619638255911 0.271733675129 0.266037122525} H41 71 1 1 {} {0.604253629282 0.222519269715 0.350553262811} 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