#MD System 2.0 @Title neb0_image08 @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 {} {0.225880264325 0.524703708331 0.345035055815} C1 1 1 14 {} {0.278804058871 0.48719417902 0.303574147526} Si1 2 1 14 {} {0.180221927966 0.533584367391 0.265105701093} Si2 3 1 8 {} {0.293084530712 0.516967957303 0.204345540413} O1 4 1 8 {} {0.31220334576 0.514501345236 0.383004230158} O2 5 1 6 {} {0.279517692183 0.393704539062 0.298411327063} C2 6 1 6 {} {0.149496263472 0.453537150106 0.247010936204} C3 7 1 8 {} {0.205225639004 0.561376230921 0.172159872941} O3 8 1 8 {} {0.144816032189 0.593944132462 0.294730539898} O4 9 1 14 {} {0.364430092302 0.532038590237 0.377034280539} Si3 10 1 7 {} {0.39525314347 0.461478854196 0.404834239191} N1 11 1 14 {} {0.441515295544 0.464762544 0.335195146878} Si4 12 1 14 {} {0.384235675077 0.416188497615 0.500697643104} Si5 13 1 7 {} {0.35801828449 0.45608037937 0.589067833903} N2 14 1 7 {} {0.436857123127 0.550750423836 0.292854877212} N3 15 1 1 {} {0.215923115838 0.496195107628 0.40462224678} H1 16 1 1 {} {0.236205126692 0.574598068898 0.369022918521} H2 17 1 1 {} {0.268734582952 0.540763871456 0.174390125475} H3 18 1 1 {} {0.274151157727 0.370565730202 0.364113850205} H4 19 1 1 {} {0.311313928527 0.374792994883 0.271657804072} H5 20 1 1 {} {0.252861044224 0.376767764995 0.253098566938} H6 21 1 1 {} {0.12298506276 0.460013313054 0.197275095006} H7 22 1 1 {} {0.133987683177 0.43685428741 0.309660631005} H8 23 1 1 {} {0.171473807098 0.413018068802 0.224109117084} H9 24 1 1 {} {0.186426097238 0.582640809802 0.128319181614} H10 25 1 1 {} {0.116906888812 0.579379525301 0.320139550567} H11 26 1 1 {} {0.375388169343 0.554008724023 0.283691736846} H12 27 1 1 {} {0.37359767221 0.591465819437 0.439734599667} H13 28 1 1 {} {0.483310423038 0.458472109837 0.394201852408} H14 29 1 1 {} {0.447153771784 0.407222974866 0.259282721001} H15 30 1 1 {} {0.352534981808 0.36180180445 0.47739345837} H16 31 1 1 {} {0.424718737953 0.386624925842 0.542462295513} H17 32 1 1 {} {0.326407916147 0.474454390094 0.582385904908} H18 33 1 1 {} {0.373040469665 0.487007486509 0.633843464172} H19 34 1 1 {} {0.463803323925 0.575757697438 0.314488456439} H20 35 1 1 {} {0.405081020228 0.596780136324 0.316176809036} H21 36 1 6 {} {0.656581900412 0.643928538088 0.467709944635} C4 37 1 14 {} {0.612253480258 0.579330869827 0.43834689693} Si6 38 1 14 {} {0.63873975692 0.729834511772 0.42079480875} Si7 39 1 8 {} {0.582808796123 0.593527941946 0.347465112869} O5 40 1 8 {} {0.631476384009 0.503424387758 0.444521587418} O6 41 1 6 {} {0.569871797322 0.577977210192 0.532914626272} C5 42 1 6 {} {0.585294862789 0.775253296126 0.464764508346} C6 43 1 8 {} {0.629657397769 0.719528955925 0.311028935491} O7 44 1 8 {} {0.680816351032 0.787831837207 0.428286283004} O8 45 1 14 {} {0.627555629176 0.423887977258 0.415294565259} Si8 46 1 7 {} {0.579242367946 0.375725781059 0.434388073299} N4 47 1 14 {} {0.558386075628 0.32431827686 0.345012147583} Si9 48 1 14 {} {0.555310547841 0.367417159787 0.541595496122} Si10 49 1 7 {} {0.591254930336 0.385673695787 0.626805633224} N5 50 1 7 {} {0.592667699086 0.26085257506 0.306316327557} N6 51 1 1 {} {0.649580469953 0.650742459254 0.538998396359} H22 52 1 1 {} {0.695197586042 0.648795767595 0.471000732332} H23 53 1 1 {} {0.593680605279 0.622347790706 0.301140136903} H24 54 1 1 {} {0.582336784247 0.609435093252 0.595027000636} H25 55 1 1 {} {0.561718035794 0.527062126895 0.55435642652} H26 56 1 1 {} {0.538176210133 0.596861368539 0.502889486} H27 57 1 1 {} {0.582892279414 0.826416105836 0.435427350395} H28 58 1 1 {} {0.585518341575 0.783295871821 0.537809392316} H29 59 1 1 {} {0.552501638336 0.752295708059 0.449159682383} H30 60 1 1 {} {0.633104134198 0.755464537946 0.267168592275} H31 61 1 1 {} {0.680280012398 0.81373542774 0.484895391959} H32 62 1 1 {} {0.634977517466 0.415742052044 0.317807910129} H33 63 1 1 {} {0.665129444045 0.396369203367 0.469334929546} H34 64 1 1 {} {0.516773653721 0.290719693887 0.377974093498} H35 65 1 1 {} {0.549975617401 0.36621320483 0.266413401032} H36 66 1 1 {} {0.518557210109 0.418129048827 0.557509114319} H37 67 1 1 {} {0.536658490256 0.298555811022 0.551386842923} H38 68 1 1 {} {0.595336219357 0.434788870015 0.643949277326} H39 69 1 1 {} {0.619049474637 0.359054986646 0.642814973934} H40 70 1 1 {} {0.617027388236 0.27167256658 0.261083896924} H41 71 1 1 {} {0.601724456246 0.221093712221 0.345284248267} 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