#MD System 2.0 @Title neb0_image02 @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 {} {0.205063277147 0.528743713089 0.309829594211} C1 1 1 14 {} {0.258999396156 0.491773509288 0.268111334022} Si1 2 1 14 {} {0.158366028028 0.537210969709 0.228853715899} Si2 3 1 8 {} {0.271610533143 0.524828464373 0.170270895822} O1 4 1 8 {} {0.299036370846 0.511972179978 0.338959371435} O2 5 1 6 {} {0.257053108468 0.39859855538 0.26101160815} C2 6 1 6 {} {0.12684427877 0.457467502503 0.211097421972} C3 7 1 8 {} {0.182868393792 0.562964285685 0.134565486454} O3 8 1 8 {} {0.12305409421 0.598374493253 0.255795842434} O4 9 1 14 {} {0.350528538625 0.54097686532 0.344112575823} Si3 10 1 7 {} {0.385255054414 0.478045628735 0.385694339529} N1 11 1 14 {} {0.43963143011 0.476412306563 0.344778977831} Si4 12 1 14 {} {0.364893068425 0.42386419837 0.468536733576} Si5 13 1 7 {} {0.335708666706 0.461580534159 0.553917074044} N2 14 1 7 {} {0.461614418412 0.556090940876 0.350993790629} N3 15 1 1 {} {0.193489450088 0.50009883144 0.368283845574} H1 16 1 1 {} {0.212949805626 0.579551133231 0.333984569721} H2 17 1 1 {} {0.24610763544 0.544947358786 0.139455454264} H3 18 1 1 {} {0.251905506807 0.375551057772 0.326805476772} H4 19 1 1 {} {0.288768351083 0.379506549206 0.234269589738} H5 20 1 1 {} {0.230289994939 0.381453111624 0.21633252263} H6 21 1 1 {} {0.10033620348 0.463695886182 0.161029445111} H7 22 1 1 {} {0.111311109621 0.439742789293 0.273299690244} H8 23 1 1 {} {0.149272469537 0.417679373508 0.18747838059} H9 24 1 1 {} {0.164392286879 0.586127846254 0.0913732449754} H10 25 1 1 {} {0.0946704272334 0.5859819245 0.28185991689} H11 26 1 1 {} {0.366866241246 0.560903405648 0.254269853658} H12 27 1 1 {} {0.349353684496 0.59974397969 0.405101606311} H13 28 1 1 {} {0.463665013852 0.424058068657 0.397406811893} H14 29 1 1 {} {0.441775284836 0.459123513528 0.248097029088} H15 30 1 1 {} {0.333389476396 0.374676739516 0.428253252059} H16 31 1 1 {} {0.404328529197 0.389550505821 0.507801276599} H17 32 1 1 {} {0.304109024203 0.478101357915 0.542975563597} H18 33 1 1 {} {0.351696302448 0.492020230416 0.597884712804} H19 34 1 1 {} {0.484510017542 0.57112304347 0.305098962654} H20 35 1 1 {} {0.467451920348 0.578357845776 0.410817503421} H21 36 1 6 {} {0.65509336032 0.637062036412 0.502803288224} C4 37 1 14 {} {0.615604609931 0.573254747882 0.454951458439} Si6 38 1 14 {} {0.652749751322 0.723752321358 0.458034796197} Si7 39 1 8 {} {0.613288618613 0.581578220065 0.345310035788} O5 40 1 8 {} {0.635356545313 0.498527558292 0.47922740706} O6 41 1 6 {} {0.558532883817 0.579414677752 0.504118095778} C5 42 1 6 {} {0.605166441616 0.774237496506 0.502740853309} C6 43 1 8 {} {0.648418376981 0.71299251656 0.347486965843} O7 44 1 8 {} {0.700331443954 0.765156753269 0.473613783072} O8 45 1 14 {} {0.645890302068 0.420653719268 0.451272399141} Si8 46 1 7 {} {0.600634052151 0.368522457191 0.469679653878} N4 47 1 14 {} {0.581124448641 0.319140258156 0.380855339076} Si9 48 1 14 {} {0.575827874051 0.365091101002 0.575352903623} Si10 49 1 7 {} {0.611197270219 0.383932007272 0.662876705113} N5 50 1 7 {} {0.616028402774 0.256573435149 0.343568529713} N6 51 1 1 {} {0.650984154276 0.638650837847 0.575894313912} H22 52 1 1 {} {0.689175052823 0.618368586746 0.490378270739} H23 53 1 1 {} {0.625633544383 0.623902708445 0.323448345559} H24 54 1 1 {} {0.558653222861 0.569489564636 0.576231014313} H25 55 1 1 {} {0.536519904157 0.542449031472 0.472272106676} H26 56 1 1 {} {0.544085104771 0.629354659222 0.493166248474} H27 57 1 1 {} {0.604403107418 0.824649531858 0.473293479049} H28 58 1 1 {} {0.607210019013 0.779746565842 0.575685128595} H29 59 1 1 {} {0.573099124247 0.7500679066 0.487516503992} H30 60 1 1 {} {0.656476040595 0.750393647869 0.309539170945} H31 61 1 1 {} {0.700705822273 0.800157296067 0.518242622328} H32 62 1 1 {} {0.657465012902 0.415595332678 0.354562722008} H33 63 1 1 {} {0.685121090253 0.400280446599 0.506158047993} H34 64 1 1 {} {0.539280265833 0.287306650267 0.413775907308} H35 65 1 1 {} {0.572870508003 0.362127272051 0.301340232171} H36 66 1 1 {} {0.538728696393 0.414519058817 0.582227669406} H37 67 1 1 {} {0.558744526427 0.295685948686 0.587700066651} H38 68 1 1 {} {0.617702215659 0.432563139997 0.677847822368} H39 69 1 1 {} {0.638180353894 0.354793335099 0.676050263992} H40 70 1 1 {} {0.640646059757 0.267622696352 0.299374016021} H41 71 1 1 {} {0.625584255153 0.218790716355 0.384804488479} 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