#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 {} {0.217058768342 0.526584725229 0.328643882996} C1 1 1 14 {} {0.270750444613 0.489326556998 0.287156943859} Si1 2 1 14 {} {0.17042651232 0.534751726884 0.247918182148} Si2 3 1 8 {} {0.283178658647 0.520347675788 0.188078538172} O1 4 1 8 {} {0.310258092819 0.511457800193 0.358082046825} O2 5 1 6 {} {0.269204235729 0.396121637448 0.281113491157} C2 6 1 6 {} {0.138820021937 0.455159890304 0.230174464519} C3 7 1 8 {} {0.19499669498 0.562022054474 0.154591439462} O3 8 1 8 {} {0.134955596749 0.594883227062 0.276459684058} O4 9 1 14 {} {0.361853919305 0.539450486958 0.363019153128} Si3 10 1 7 {} {0.394470584567 0.473952215352 0.404087981677} N1 11 1 14 {} {0.445178589476 0.470455339021 0.349706792919} Si4 12 1 14 {} {0.376166216255 0.420883644016 0.489508909072} Si5 13 1 7 {} {0.347123087062 0.459056205772 0.574805991009} N2 14 1 7 {} {0.451946107523 0.560531722542 0.333540322396} N3 15 1 1 {} {0.205574851665 0.498031205368 0.387213460143} H1 16 1 1 {} {0.22525182632 0.577401176804 0.352452224561} H2 17 1 1 {} {0.258219860548 0.542755444017 0.158120692655} H3 18 1 1 {} {0.263891241635 0.372723648478 0.346538869653} H4 19 1 1 {} {0.300816149225 0.376732117127 0.254408375717} H5 20 1 1 {} {0.242366656835 0.379457404624 0.236328824763} H6 21 1 1 {} {0.112262406891 0.461802601406 0.180292059845} H7 22 1 1 {} {0.123210387186 0.437952343881 0.292617355503} H8 23 1 1 {} {0.160965214262 0.414969348485 0.206833843462} H9 24 1 1 {} {0.176105117719 0.58421821192 0.111046219166} H10 25 1 1 {} {0.106437177897 0.582465674514 0.302294291669} H11 26 1 1 {} {0.378217388541 0.558815871588 0.273818392479} H12 27 1 1 {} {0.361638115287 0.59759386956 0.425120937035} H13 28 1 1 {} {0.475605581983 0.429224297933 0.41107822357} H14 29 1 1 {} {0.451295924807 0.445691199435 0.257931316192} H15 30 1 1 {} {0.344935487782 0.371312059459 0.448777788484} H16 31 1 1 {} {0.416437674106 0.387407900319 0.526902645438} H17 32 1 1 {} {0.315836801978 0.476055336572 0.562522352437} H18 33 1 1 {} {0.363118486862 0.490343252049 0.617623724353} H19 34 1 1 {} {0.490165441568 0.563421440015 0.317322874135} H20 35 1 1 {} {0.450018300325 0.581113526974 0.397153411377} H21 36 1 6 {} {0.648624515594 0.641441580714 0.483309460772} C4 37 1 14 {} {0.610249959018 0.577954965965 0.442623945291} Si6 38 1 14 {} {0.641648384862 0.726853986435 0.437575389702} Si7 39 1 8 {} {0.597797407572 0.585609616472 0.333722248481} O5 40 1 8 {} {0.626413093826 0.500678195849 0.459386051061} O6 41 1 6 {} {0.55961423311 0.585303541909 0.509867227622} C5 42 1 6 {} {0.593214846342 0.776301926999 0.4827442858} C6 43 1 8 {} {0.637928150894 0.714605445443 0.327245130183} O7 44 1 8 {} {0.688460237772 0.76964983916 0.453560418255} O8 45 1 14 {} {0.6345386115 0.42221167105 0.432814318268} Si8 46 1 7 {} {0.588522950349 0.370362786659 0.449145091131} N4 47 1 14 {} {0.569272372199 0.321556965077 0.362294248695} Si9 48 1 14 {} {0.563948426183 0.36742034061 0.558173602421} Si10 49 1 7 {} {0.599500421833 0.386036874824 0.641764737527} N5 50 1 7 {} {0.603660343597 0.2581545596 0.322886983895} N6 51 1 1 {} {0.640513016779 0.641072489566 0.555336240148} H22 52 1 1 {} {0.682934134746 0.624616819045 0.472319144572} H23 53 1 1 {} {0.612115010362 0.624611310961 0.305208283383} H24 54 1 1 {} {0.557443176702 0.580476724126 0.583000352722} H25 55 1 1 {} {0.54962039413 0.534002663409 0.481360359573} H26 56 1 1 {} {0.537499804246 0.626448580708 0.483390844768} H27 57 1 1 {} {0.592349912277 0.826871742623 0.453381794397} H28 58 1 1 {} {0.595319840995 0.782089703688 0.555781691946} H29 59 1 1 {} {0.560855901845 0.752725980499 0.468136682834} H30 60 1 1 {} {0.644556089879 0.752459657377 0.289059372793} H31 61 1 1 {} {0.688641243569 0.803513871213 0.499280432884} H32 62 1 1 {} {0.645353047994 0.417818001145 0.334746145745} H33 63 1 1 {} {0.673654337281 0.402408656604 0.487092416263} H34 64 1 1 {} {0.52742520161 0.289712853457 0.39475230139} H35 65 1 1 {} {0.560936694115 0.364541402293 0.282526532004} H36 66 1 1 {} {0.526585307336 0.416611994389 0.56619222688} H37 67 1 1 {} {0.546697726079 0.297267467288 0.568718019177} H38 68 1 1 {} {0.605252361791 0.434396578339 0.658935428324} H39 69 1 1 {} {0.626354258898 0.35703849969 0.657319614924} H40 70 1 1 {} {0.628306832746 0.269756727959 0.279078142805} H41 71 1 1 {} {0.613112049723 0.220246167453 0.363793010657} 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