#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 {} {0.216662285296 0.526583341393 0.328225596642} C1 1 1 14 {} {0.27053586837 0.489435025325 0.286714861704} Si1 2 1 14 {} {0.170082872683 0.534949671197 0.247617537936} Si2 3 1 8 {} {0.282990202345 0.520788436128 0.187757403576} O1 4 1 8 {} {0.309591366597 0.51145627628 0.358051630076} O2 5 1 6 {} {0.268850428879 0.396122740111 0.280549446628} C2 6 1 6 {} {0.138570526726 0.455277845276 0.229730362398} C3 7 1 8 {} {0.194589623171 0.561840802508 0.153962908208} O3 8 1 8 {} {0.13456001052 0.595439534659 0.275777724768} O4 9 1 14 {} {0.361307369153 0.539084706977 0.362316382856} Si3 10 1 7 {} {0.394589047058 0.473988530418 0.402559716375} N1 11 1 14 {} {0.446617284227 0.47240483971 0.352337397605} Si4 12 1 14 {} {0.375946362023 0.421031247445 0.487650924395} Si5 13 1 7 {} {0.347073389389 0.459161678094 0.573667682682} N2 14 1 7 {} {0.458591796683 0.557484769818 0.342215559763} N3 15 1 1 {} {0.205283430159 0.498094968169 0.386957617445} H1 16 1 1 {} {0.22488774466 0.577355632009 0.352135499965} H2 17 1 1 {} {0.257883228479 0.542733673159 0.157779815796} H3 18 1 1 {} {0.26358973174 0.372929797863 0.346226425091} H4 19 1 1 {} {0.300543629043 0.376937643279 0.253761964956} H5 20 1 1 {} {0.24206849634 0.379327445841 0.235690096165} H6 21 1 1 {} {0.11203485069 0.461733086163 0.179867494898} H7 22 1 1 {} {0.122979597295 0.437963737214 0.292066314641} H8 23 1 1 {} {0.16070580409 0.415078260093 0.206330142622} H9 24 1 1 {} {0.175863011456 0.584274068565 0.110467102602} H10 25 1 1 {} {0.10618967959 0.582600077753 0.301697617268} H11 26 1 1 {} {0.377564204874 0.558775883417 0.272911519833} H12 27 1 1 {} {0.361339499954 0.597497109758 0.424516175938} H13 28 1 1 {} {0.47530254467 0.429152131289 0.410184693154} H14 29 1 1 {} {0.450494238339 0.446143054337 0.259178738438} H15 30 1 1 {} {0.344523709224 0.371101351229 0.448844013306} H16 31 1 1 {} {0.415968976676 0.387550370384 0.526637596723} H17 32 1 1 {} {0.315619127325 0.476049549049 0.562205024917} H18 33 1 1 {} {0.362926116535 0.490245359691 0.617121155299} H19 34 1 1 {} {0.489686347977 0.565380856119 0.317839000176} H20 35 1 1 {} {0.455934873398 0.581190577993 0.402510517777} H21 36 1 6 {} {0.648558593119 0.640704368347 0.484006437902} C4 37 1 14 {} {0.608880857642 0.577234968207 0.44172925772} Si6 38 1 14 {} {0.642166081269 0.726711471431 0.438346779665} Si7 39 1 8 {} {0.598802785252 0.585418803508 0.333956332295} O5 40 1 8 {} {0.626885159638 0.500913905692 0.460371182951} O6 41 1 6 {} {0.556197700017 0.582119643296 0.504216118123} C5 42 1 6 {} {0.59360569177 0.776104272508 0.483132547582} C6 43 1 8 {} {0.637950499277 0.714927000926 0.327981303461} O7 44 1 8 {} {0.688998149661 0.770124788757 0.453611627109} O8 45 1 14 {} {0.634869306332 0.422178132194 0.432385263401} Si8 46 1 7 {} {0.588974906519 0.371116018302 0.451235828633} N4 47 1 14 {} {0.569258716162 0.321364111739 0.361712413771} Si9 48 1 14 {} {0.56425366234 0.366897068808 0.557225007166} Si10 49 1 7 {} {0.599772417787 0.385981823554 0.643450889256} N5 50 1 7 {} {0.603996631497 0.258579004973 0.323953283828} N6 51 1 1 {} {0.641649804745 0.641515069495 0.556319313975} H22 52 1 1 {} {0.683319982349 0.624923551977 0.473467313984} H23 53 1 1 {} {0.612268461987 0.624639222493 0.306087930243} H24 54 1 1 {} {0.556988324331 0.579817560678 0.576673059885} H25 55 1 1 {} {0.541257277976 0.536712509396 0.477935736242} H26 56 1 1 {} {0.53636733634 0.626475150819 0.482987911161} H27 57 1 1 {} {0.592710645366 0.826667359325 0.453911886352} H28 58 1 1 {} {0.595683218789 0.781943621385 0.556148980921} H29 59 1 1 {} {0.561271001509 0.752413370142 0.468436313158} H30 60 1 1 {} {0.644813602651 0.752479403944 0.289445419523} H31 61 1 1 {} {0.689012832599 0.803742028061 0.499965501882} H32 62 1 1 {} {0.645689799651 0.417432327845 0.335594054286} H33 63 1 1 {} {0.673978507827 0.40166378036 0.487476665814} H34 64 1 1 {} {0.527605476191 0.289448295227 0.395150283891} H35 65 1 1 {} {0.561207393195 0.36440195708 0.282817079138} H36 66 1 1 {} {0.527024557416 0.416437998802 0.565695974989} H37 67 1 1 {} {0.547065056072 0.297562899623 0.568953937304} H38 68 1 1 {} {0.605733274857 0.434639426313 0.659518423114} H39 69 1 1 {} {0.626805477292 0.35694399707 0.657694560686} H40 70 1 1 {} {0.628625710715 0.269648302419 0.279686802753} H41 71 1 1 {} {0.613481734679 0.220255724312 0.364462809687} 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