#MD System 2.0 @Title neb0_image05 @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 {} {0.214824770319 0.527302058747 0.324241097913} C1 1 1 14 {} {0.268356224986 0.489478415758 0.28370289158} Si1 2 1 14 {} {0.1682606841 0.534795485349 0.243624592955} Si2 3 1 8 {} {0.280612638088 0.519138727888 0.183569796333} O1 4 1 8 {} {0.307778466542 0.511538941953 0.354515708972} O2 5 1 6 {} {0.266476277202 0.396342667702 0.277201017895} C2 6 1 6 {} {0.136581922882 0.455276033719 0.226476861246} C3 7 1 8 {} {0.192056582248 0.562319801951 0.149912868711} O3 8 1 8 {} {0.132801024225 0.594378125509 0.27371132118} O4 9 1 14 {} {0.359353089835 0.539754902279 0.36004073329} Si3 10 1 7 {} {0.391892135323 0.474435787697 0.40044459578} N1 11 1 14 {} {0.442074866574 0.470074883427 0.34430827589} Si4 12 1 14 {} {0.373748483745 0.421246787028 0.485576100504} Si5 13 1 7 {} {0.34450673266 0.459188653561 0.570741572281} N2 14 1 7 {} {0.447454405653 0.561375352152 0.324911719931} N3 15 1 1 {} {0.203288166165 0.498620783308 0.382624772747} H1 16 1 1 {} {0.223245525151 0.578076449228 0.347801659183} H2 17 1 1 {} {0.256426019196 0.542951527227 0.153638463312} H3 18 1 1 {} {0.261127580126 0.372365806192 0.342110728788} H4 19 1 1 {} {0.298038224023 0.376545893167 0.250771469133} H5 20 1 1 {} {0.239657424536 0.379975020537 0.23222153231} H6 21 1 1 {} {0.110111654746 0.46257595679 0.176494463772} H7 22 1 1 {} {0.120787416078 0.438437006508 0.289008314489} H8 23 1 1 {} {0.158505388208 0.414811628531 0.203025273088} H9 24 1 1 {} {0.172866088425 0.585137914259 0.106900744276} H10 25 1 1 {} {0.10417527116 0.5819386216 0.299053401442} H11 26 1 1 {} {0.37562160665 0.559258562945 0.271197956711} H12 27 1 1 {} {0.358984633029 0.597813508152 0.421408838535} H13 28 1 1 {} {0.473249828053 0.430117900306 0.406403578931} H14 29 1 1 {} {0.44864875815 0.444671393452 0.253122833516} H15 30 1 1 {} {0.34267106704 0.371795606113 0.444390624266} H16 31 1 1 {} {0.414122139114 0.387580383825 0.52228502151} H17 32 1 1 {} {0.313396089773 0.476366617343 0.558273357943} H18 33 1 1 {} {0.360481547969 0.49109971716 0.613345656077} H19 34 1 1 {} {0.488814766129 0.562007300951 0.3131487487} H20 35 1 1 {} {0.446243298093 0.581358503726 0.388878394154} H21 36 1 6 {} {0.651619074301 0.641775378638 0.486739327549} C4 37 1 14 {} {0.613072152903 0.578610786547 0.448521866261} Si6 38 1 14 {} {0.644281801768 0.72715633839 0.441215622875} Si7 39 1 8 {} {0.598177717477 0.58612344944 0.33973894054} O5 40 1 8 {} {0.628834561816 0.500792871445 0.464007792246} O6 41 1 6 {} {0.563534839343 0.585763000677 0.518822614053} C5 42 1 6 {} {0.59595712191 0.776487246911 0.487186157704} C6 43 1 8 {} {0.639087426573 0.71493956166 0.331146697024} O7 44 1 8 {} {0.691536566432 0.76958666991 0.456349378602} O8 45 1 14 {} {0.636943655242 0.422482711483 0.437210479617} Si8 46 1 7 {} {0.591296159621 0.370164898656 0.453464401815} N4 47 1 14 {} {0.572118217543 0.320762211903 0.366540773235} Si9 48 1 14 {} {0.56530318808 0.366651617598 0.558699595832} Si10 49 1 7 {} {0.603093965312 0.385913077892 0.645406125496} N5 50 1 7 {} {0.605021061648 0.257672302093 0.325218615312} N6 51 1 1 {} {0.643608524465 0.640894228828 0.558714777115} H22 52 1 1 {} {0.685826839195 0.625177421932 0.475352421438} H23 53 1 1 {} {0.614108504199 0.623774683999 0.309538001749} H24 54 1 1 {} {0.56022916683 0.581252770719 0.591851137835} H25 55 1 1 {} {0.555374521024 0.532553065013 0.488929957441} H26 56 1 1 {} {0.540420048221 0.626206998203 0.489320606603} H27 57 1 1 {} {0.59488614056 0.826827073607 0.457244159596} H28 58 1 1 {} {0.597826815394 0.782255655016 0.560229816682} H29 59 1 1 {} {0.563715954213 0.752705818481 0.472223464041} H30 60 1 1 {} {0.647052921934 0.751746903235 0.29234117109} H31 61 1 1 {} {0.691582789231 0.802930161903 0.502188155414} H32 62 1 1 {} {0.647888997025 0.418027842035 0.338941058019} H33 63 1 1 {} {0.676249118978 0.402837895845 0.491580339117} H34 64 1 1 {} {0.529855709668 0.289955642791 0.399147590422} H35 65 1 1 {} {0.563349117262 0.36430746254 0.286806567535} H36 66 1 1 {} {0.528532661807 0.415503820008 0.57078610662} H37 67 1 1 {} {0.549571669143 0.296209092238 0.572553048338} H38 68 1 1 {} {0.607272140208 0.433817019761 0.662374963504} H39 69 1 1 {} {0.628276170161 0.357006358637 0.661163108206} H40 70 1 1 {} {0.630143759606 0.269317956912 0.282495146978} H41 71 1 1 {} {0.614787906128 0.218960199403 0.36667337092} 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