#MD System 2.0 @Title neb0_image09 @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 {} {0.237765682217 0.523060495679 0.364057913595} C1 1 1 14 {} {0.288860871236 0.484966465221 0.322006221272} Si1 2 1 14 {} {0.19291239491 0.531014374714 0.284542143025} Si2 3 1 8 {} {0.304677078199 0.511722552702 0.222240459368} O1 4 1 8 {} {0.318661778551 0.519698675411 0.406544466441} O2 5 1 6 {} {0.292275966689 0.391663861891 0.319218798662} C2 6 1 6 {} {0.162026322392 0.451001686715 0.266932647925} C3 7 1 8 {} {0.218083296146 0.562187644588 0.193879406438} O3 8 1 8 {} {0.157436544684 0.589167266888 0.315673115515} O4 9 1 14 {} {0.372345817738 0.532280445396 0.390533187767} Si3 10 1 7 {} {0.387717851305 0.442719450319 0.418894775219} N1 11 1 14 {} {0.400808112173 0.413928511921 0.252262168948} Si4 12 1 14 {} {0.389631144541 0.408634689594 0.53281151952} Si5 13 1 7 {} {0.367974249751 0.450925639356 0.618790445986} N2 14 1 7 {} {0.290247064902 0.605008918087 0.0692088276221} N3 15 1 1 {} {0.228694335595 0.493842979283 0.42356913575} H1 16 1 1 {} {0.249206043977 0.572894497324 0.388119785429} H2 17 1 1 {} {0.280955780369 0.538913496627 0.193016914425} H3 18 1 1 {} {0.286783011238 0.367748421121 0.383937313019} H4 19 1 1 {} {0.32386060891 0.37175595762 0.293146751707} H5 20 1 1 {} {0.265675132325 0.375427682529 0.274375102549} H6 21 1 1 {} {0.135438857398 0.458124241579 0.217272936965} H7 22 1 1 {} {0.146316050496 0.434855934182 0.329976796711} H8 23 1 1 {} {0.183773657877 0.410007063388 0.244447801673} H9 24 1 1 {} {0.197845157284 0.581476041214 0.148431299933} H10 25 1 1 {} {0.128971787698 0.575131814751 0.342532800736} H11 26 1 1 {} {0.38302651725 0.548879298687 0.299811288497} H12 27 1 1 {} {0.387891422372 0.590857713838 0.460825164659} H13 28 1 1 {} {0.490005281696 0.499865861354 0.380037117037} H14 29 1 1 {} {0.450272189579 0.335680392373 0.210814657812} H15 30 1 1 {} {0.359966304578 0.347211625626 0.502363440281} H16 31 1 1 {} {0.438222378627 0.381537963796 0.562661442399} H17 32 1 1 {} {0.337320405898 0.473017155218 0.605325998104} H18 33 1 1 {} {0.384232602717 0.486988281034 0.65802218307} H19 34 1 1 {} {0.407906782306 0.550568843762 0.262402737396} H20 35 1 1 {} {0.17018732826 0.633314827101 0.105527339313} H21 36 1 6 {} {0.688774909648 0.661915489428 0.447812883333} C4 37 1 14 {} {0.662037979424 0.60605109924 0.46336742919} Si6 38 1 14 {} {0.632633551096 0.739905874874 0.394531457352} Si7 39 1 8 {} {0.5564834536 0.603011339398 0.388790795369} O5 40 1 8 {} {0.631465391559 0.506665049993 0.418438616707} O6 41 1 6 {} {0.650243973216 0.615238952827 0.680493849881} C5 42 1 6 {} {0.572680859341 0.775675420285 0.444720126499} C6 43 1 8 {} {0.617495669778 0.720135989688 0.288684475924} O7 44 1 8 {} {0.671994500735 0.801459383604 0.4011678127} O8 45 1 14 {} {0.616845878286 0.421396324506 0.397247511051} Si8 46 1 7 {} {0.56644906966 0.375868032194 0.413336622613} N4 47 1 14 {} {0.548122376878 0.324065337515 0.327844753921} Si9 48 1 14 {} {0.54681437086 0.366959219714 0.531610488208} Si10 49 1 7 {} {0.583545152688 0.386779882562 0.603354973503} N5 50 1 7 {} {0.580489617855 0.261391647201 0.283081324861} N6 51 1 1 {} {0.641360116285 0.649594034052 0.504607545586} H22 52 1 1 {} {0.728217355715 0.673252851774 0.458855070693} H23 53 1 1 {} {0.570848460694 0.617821832205 0.283513784053} H24 54 1 1 {} {0.636694331339 0.668063325648 0.777911409163} H25 55 1 1 {} {0.762017861877 0.452052201461 0.717911751107} H26 56 1 1 {} {0.566409841043 0.560670514106 0.535809220054} H27 57 1 1 {} {0.570565439653 0.827936862124 0.414288320053} H28 58 1 1 {} {0.573104503881 0.785494016546 0.517845659352} H29 59 1 1 {} {0.538619104199 0.755845219633 0.429509186783} H30 60 1 1 {} {0.620015623117 0.757300455265 0.242429675236} H31 61 1 1 {} {0.667971321061 0.821552861222 0.467721831103} H32 62 1 1 {} {0.622764247076 0.417336908628 0.292643271253} H33 63 1 1 {} {0.655386787522 0.398736117632 0.451896372945} H34 64 1 1 {} {0.504907138075 0.291845292295 0.357772523038} H35 65 1 1 {} {0.53766101541 0.369194023931 0.248560718332} H36 66 1 1 {} {0.513563558589 0.420549178859 0.568805920619} H37 67 1 1 {} {0.524193518807 0.298024454227 0.532638930912} H38 68 1 1 {} {0.583179850553 0.434670130238 0.625732130025} H39 69 1 1 {} {0.612357585359 0.359531913353 0.630774435093} H40 70 1 1 {} {0.60466901623 0.27325556246 0.239915852106} H41 71 1 1 {} {0.589118621509 0.221976018623 0.321967010209} 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