#MD System 2.0 @Title neb0_image06 @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 {} {0.217982742534 0.526292318825 0.330093377078} C1 1 1 14 {} {0.27181250435 0.489065571621 0.288968991195} Si1 2 1 14 {} {0.171603545551 0.534531507473 0.25006714347} Si2 3 1 8 {} {0.284124985015 0.518293927547 0.188943931251} O1 4 1 8 {} {0.309617293678 0.5132154292 0.361244913089} O2 5 1 6 {} {0.270485893611 0.39566617694 0.283713196899} C2 6 1 6 {} {0.14012157343 0.454904293993 0.231864808446} C3 7 1 8 {} {0.196013185534 0.562626325207 0.156697426345} O3 8 1 8 {} {0.135659002813 0.59459039623 0.279567971956} O4 9 1 14 {} {0.361033765458 0.538727705122 0.363415856585} Si3 10 1 7 {} {0.393124038084 0.471371512559 0.401908784849} N1 11 1 14 {} {0.443699211335 0.470829544964 0.344967700684} Si4 12 1 14 {} {0.376709152113 0.419624551035 0.488961169924} Si5 13 1 7 {} {0.348507470894 0.458712835556 0.57624723717} N2 14 1 7 {} {0.447113494659 0.557708527981 0.320583635752} N3 15 1 1 {} {0.206961340945 0.497999906452 0.389170474004} H1 16 1 1 {} {0.226726654096 0.576927030824 0.353702044736} H2 17 1 1 {} {0.259518731271 0.542315402279 0.159506898937} H3 18 1 1 {} {0.265115144347 0.372157948773 0.34931706039} H4 19 1 1 {} {0.302169083175 0.376177082111 0.256923400524} H5 20 1 1 {} {0.243707638321 0.378829162679 0.238628633486} H6 21 1 1 {} {0.113603022779 0.461632266349 0.18216220718} H7 22 1 1 {} {0.124516770368 0.438109345063 0.294407970193} H8 23 1 1 {} {0.162004967835 0.4143492947 0.208712689623} H9 24 1 1 {} {0.177163442531 0.584357631802 0.113124586423} H10 25 1 1 {} {0.107624419826 0.58089857478 0.305189599608} H11 26 1 1 {} {0.377230624367 0.558455828267 0.274823683549} H12 27 1 1 {} {0.363318865325 0.596619693607 0.427215847457} H13 28 1 1 {} {0.476798253252 0.438187922847 0.404167585815} H14 29 1 1 {} {0.44787239662 0.433190660992 0.253518552438} H15 30 1 1 {} {0.345604625347 0.369324946823 0.454238573086} H16 31 1 1 {} {0.417194151248 0.387708391781 0.528856079845} H17 32 1 1 {} {0.31697981173 0.475731711643 0.565079852764} H18 33 1 1 {} {0.364001282105 0.490107761668 0.619694115849} H19 34 1 1 {} {0.483611656546 0.564012045912 0.314666311893} H20 35 1 1 {} {0.434429400174 0.586285458376 0.371126988786} H21 36 1 6 {} {0.652590037591 0.642197581615 0.481732628988} C4 37 1 14 {} {0.612828305125 0.579058326678 0.444936190799} Si6 38 1 14 {} {0.642343326386 0.727916263286 0.435515876059} Si7 39 1 8 {} {0.594186346861 0.587586167722 0.339750822628} O5 40 1 8 {} {0.629570398385 0.501522858475 0.458643700013} O6 41 1 6 {} {0.563855146517 0.581530399246 0.520200093329} C5 42 1 6 {} {0.592453093313 0.775855329458 0.479804053505} C6 43 1 8 {} {0.637711177627 0.715204485293 0.324998499309} O7 44 1 8 {} {0.687823580607 0.77443160471 0.449079426189} O8 45 1 14 {} {0.634258775284 0.421789391719 0.428721665187} Si8 46 1 7 {} {0.587824750675 0.373145187078 0.451594410344} N4 47 1 14 {} {0.566873694352 0.321811290154 0.357604951429} Si9 48 1 14 {} {0.563343451532 0.366294066296 0.554722181911} Si10 49 1 7 {} {0.597023734325 0.385327130782 0.63915623331} N5 50 1 7 {} {0.602617759396 0.258328595818 0.320919286636} N6 51 1 1 {} {0.644278402974 0.643381967396 0.553513377482} H22 52 1 1 {} {0.688528191395 0.631098524785 0.474191406261} H23 53 1 1 {} {0.6085478382 0.623392121767 0.30617618071} H24 54 1 1 {} {0.566939724507 0.588903686683 0.592690988787} H25 55 1 1 {} {0.552832480859 0.529374617628 0.504474185458} H26 56 1 1 {} {0.538178599982 0.620420259895 0.490360200032} H27 57 1 1 {} {0.59125198718 0.826499897741 0.450857177109} H28 58 1 1 {} {0.594388014733 0.782187951687 0.552774762948} H29 59 1 1 {} {0.559873620398 0.752712078228 0.465593946516} H30 60 1 1 {} {0.643288232929 0.752867772241 0.285334968644} H31 61 1 1 {} {0.687580210697 0.806230936801 0.498538879041} H32 62 1 1 {} {0.644068584436 0.416993823153 0.333719724598} H33 63 1 1 {} {0.673150773581 0.400193645087 0.485247337335} H34 64 1 1 {} {0.526206121801 0.289830746976 0.392826695499} H35 65 1 1 {} {0.559689702553 0.364607464222 0.281066717874} H36 66 1 1 {} {0.525442586342 0.416513872454 0.565466823552} H37 67 1 1 {} {0.545692592441 0.297710931826 0.566613113259} H38 68 1 1 {} {0.60430747798 0.436335570865 0.658447041138} H39 69 1 1 {} {0.626717314666 0.356551494278 0.656462159995} H40 70 1 1 {} {0.626421822003 0.269840714297 0.276511784666} H41 71 1 1 {} {0.611229962132 0.220117616823 0.360080859382} 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