#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 WyckoffPosition int -1 @end @data 6 {} {0.370886645333 0.581831646133 0.41155339017} C1 1 1 14 {} {0.348101459409 0.554851224443 0.522103292905} Si1 2 1 14 {} {0.432621232949 0.589098615036 0.407098256202} Si2 3 1 8 {} {0.361578791847 0.611634641118 0.598089543063} O1 4 1 8 {} {0.293449152597 0.55287575323 0.515047962762} O2 5 1 6 {} {0.3673934785 0.469651743389 0.55664660073} C2 6 1 6 {} {0.458633657605 0.504907584952 0.392701216315} C3 7 1 8 {} {0.446026289031 0.624796542346 0.505861758449} O3 8 1 8 {} {0.444448800545 0.642271980463 0.324853532409} O4 9 1 14 {} {0.242987240761 0.55752367035 0.556275772232} Si3 10 1 7 {} {0.223487828496 0.479639247853 0.59027638042} N1 11 1 14 {} {0.201085903077 0.471329611721 0.697662736445} Si4 12 1 14 {} {0.224041564279 0.411967792272 0.515149299012} Si5 13 1 7 {} {0.217963588811 0.432838710129 0.404608571936} N2 14 1 7 {} {0.150662719379 0.510259682307 0.718123869397} N3 15 1 1 {} {0.361365933429 0.545828646908 0.35896813273} H1 16 1 1 {} {0.355673451436 0.630541881547 0.394172782343} H2 17 1 1 {} {0.391546546135 0.629866217399 0.58800604421} H3 18 1 1 {} {0.358763109251 0.431069799745 0.507253442629} H4 19 1 1 {} {0.351623402794 0.455863732482 0.620242478054} H5 20 1 1 {} {0.403666248622 0.468448258829 0.566744619881} H6 21 1 1 {} {0.494593018925 0.511026824353 0.390492876001} H7 22 1 1 {} {0.448321605357 0.480925415104 0.329998328746} H8 23 1 1 {} {0.450498295808 0.469731329716 0.446411713965} H9 24 1 1 {} {0.476846055238 0.639090968661 0.512062640489} H10 25 1 1 {} {0.475497442177 0.642193660873 0.306052251848} H11 26 1 1 {} {0.241463022219 0.601983842509 0.636414561311} H12 27 1 1 {} {0.214239235823 0.585835735469 0.484445193998} H13 28 1 1 {} {0.194432010586 0.398219699877 0.712090825314} H14 29 1 1 {} {0.232675952396 0.500490573617 0.763800600482} H15 30 1 1 {} {0.267340163244 0.375254506973 0.521037428306} H16 31 1 1 {} {0.186446793525 0.367326109381 0.541809399577} H17 32 1 1 {} {0.245003834254 0.447765355236 0.368839798426} H18 33 1 1 {} {0.190069431233 0.4565320277 0.382721928593} H19 34 1 1 {} {0.149909731193 0.559931015366 0.732830520118} H20 35 1 1 {} {0.122695303134 0.496543049907 0.68440579538} H21 36 1 6 {} {0.622476153051 0.611642029377 0.351490904599} C4 37 1 14 {} {0.578930349987 0.550768475263 0.389652477235} Si6 38 1 14 {} {0.615085783601 0.700367975986 0.388017407379} Si7 39 1 8 {} {0.532403033469 0.595838869912 0.384579858626} O5 40 1 8 {} {0.576669080586 0.486488027708 0.321749747349} O6 41 1 6 {} {0.58778228565 0.516981619387 0.503951541135} C5 42 1 6 {} {0.631673859502 0.716872040375 0.505964680541} C6 43 1 8 {} {0.560353622033 0.71746164559 0.376746329007} O7 44 1 8 {} {0.641520782818 0.750495798554 0.317559202213} O8 45 1 14 {} {0.570308340352 0.425106031611 0.250285242145} Si8 46 1 7 {} {0.582637079509 0.346421169324 0.292706261305} N4 47 1 14 {} {0.539104600272 0.289754552736 0.31583671375} Si9 48 1 14 {} {0.637247125275 0.320598077578 0.317514561794} Si10 49 1 7 {} {0.678268702386 0.366759771753 0.266237820201} N5 50 1 7 {} {0.515267094103 0.246505832523 0.228635231822} N6 51 1 1 {} {0.656647130381 0.5954011407 0.367608370824} H22 52 1 1 {} {0.620100519538 0.612094345651 0.278063686716} H23 53 1 1 {} {0.538649110557 0.644636958243 0.379837288402} H24 54 1 1 {} {0.619316471409 0.48940155499 0.50922398377} H25 55 1 1 {} {0.560988050445 0.482172459286 0.522210089046} H26 56 1 1 {} {0.588179833474 0.557041930622 0.554009370644} H27 57 1 1 {} {0.626189420776 0.769632192301 0.52392143849} H28 58 1 1 {} {0.667178421949 0.705302107332 0.515398545919} H29 59 1 1 {} {0.612461941046 0.686110699708 0.55321392076} H30 60 1 1 {} {0.548478499155 0.762431089692 0.373376230087} H31 61 1 1 {} {0.659400014811 0.785939667867 0.343259815978} H32 62 1 1 {} {0.522761315941 0.422288365917 0.221110672277} H33 63 1 1 {} {0.599366086832 0.440026731667 0.172187643121} H34 64 1 1 {} {0.559000625624 0.238836385477 0.37681916429} H35 65 1 1 {} {0.502206945661 0.327572599371 0.358967704732} H36 66 1 1 {} {0.646581546062 0.326569357443 0.414969990304} H37 67 1 1 {} {0.641081955541 0.249165670472 0.289269488448} H38 68 1 1 {} {0.691749523317 0.407391447858 0.296584499429} H39 69 1 1 {} {0.681289852777 0.369607360871 0.198859751891} H40 70 1 1 {} {0.492896962362 0.269432381024 0.18793058125} H41 71 1 1 {} {0.53263127443 0.210872793489 0.194947811117} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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