#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 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849420761927 0.30762951877 0.0628421557725} Si1 1 0.0 1 14 {} {0.849895170788 0.385158480509 0.444538183447} Si2 2 0.0 1 14 {} {0.0994301930733 0.307422326442 0.192864716889} Si3 3 0.0 1 14 {} {0.0997750772591 0.383454421218 0.31813299359} Si4 4 0.0 1 14 {} {0.859392888735 0.54186464319 0.438652393842} Si5 5 0.0 1 14 {} {0.105255714543 0.538342554711 0.306556324369} Si6 6 0.0 1 14 {} {0.850748158213 0.458625301887 0.0659199761328} Si7 7 0.0 1 14 {} {0.845563775012 0.229734971881 0.442253169555} Si8 8 0.0 1 14 {} {0.100517289236 0.458889925038 0.194338331298} Si9 9 0.0 1 14 {} {0.0954432971829 0.228983745652 0.313765635919} Si10 10 0.0 1 8 {} {0.362559567478 0.595153731189 0.518463200514} O1 11 0.0 1 14 {} {0.353471355357 0.661936349253 0.515709034604} Si11 12 0.0 1 8 {} {0.112105708892 0.589530763295 0.208939708454} O2 13 0.0 1 1 {} {0.0115875856354 0.593739069139 0.149502223185} H1 14 0.0 1 8 {} {0.334672392658 0.1783394264 0.540654471068} O3 15 0.0 1 1 {} {0.933546613343 0.175107785839 0.601173939609} H2 16 0.0 1 8 {} {0.0843268849094 0.177277836261 0.215952140501} O4 17 0.0 1 1 {} {0.183290954937 0.173716887711 0.155796447289} H3 18 0.0 1 14 {} {0.849704002031 0.30797035142 0.564959203211} Si12 19 0.0 1 14 {} {0.850082413575 0.384183504014 0.938703957236} Si13 20 0.0 1 14 {} {0.0998033258935 0.309212079319 0.694212441772} Si14 21 0.0 1 14 {} {0.100425665081 0.387799722952 0.81225584172} Si15 22 0.0 1 14 {} {0.85077590937 0.537358616865 0.951089925569} Si16 23 0.0 1 14 {} {0.101975434107 0.543004105035 0.822974069436} Si17 24 0.0 1 14 {} {0.85088722674 0.464097590426 0.561592040591} Si18 25 0.0 1 14 {} {0.84561424078 0.228996532652 0.942659466388} Si19 26 0.0 1 14 {} {0.100585839337 0.466798133643 0.691791060388} Si20 27 0.0 1 14 {} {0.0958243379583 0.230160433658 0.81483208468} Si21 28 0.0 1 8 {} {0.364218808423 0.588846229656 0.0471880671521} O5 29 0.0 1 1 {} {0.26354178261 0.594171317316 0.106242904086} H4 30 0.0 1 8 {} {0.124178970494 0.603494299931 0.778060833217} O6 31 0.0 1 1 {} {0.0908547900195 0.623966651811 0.703634820225} H5 32 0.0 1 8 {} {0.334479798126 0.177466743203 0.0410879638889} O7 33 0.0 1 1 {} {0.9335435342 0.17384841347 0.101036403899} H6 34 0.0 1 8 {} {0.0846309075439 0.17950914015 0.71406652018} O8 35 0.0 1 1 {} {0.184139657035 0.175735384564 0.654273131155} H7 36 0.0 1 14 {} {0.349177370207 0.307626108803 0.0627700786765} Si22 37 0.0 1 14 {} {0.349386113988 0.386191565525 0.444912627315} Si23 38 0.0 1 14 {} {0.599137114696 0.307780293484 0.192820064974} Si24 39 0.0 1 14 {} {0.599647637038 0.383796791465 0.31857004966} Si25 40 0.0 1 14 {} {0.357243860347 0.542283005708 0.434194208959} Si26 41 0.0 1 14 {} {0.609712770676 0.539481705246 0.308072718953} Si27 42 0.0 1 14 {} {0.351966151875 0.458400294081 0.0678653650606} Si28 43 0.0 1 14 {} {0.345419298422 0.22980016496 0.442090997707} Si29 44 0.0 1 14 {} {0.602982565373 0.459553024115 0.195458458287} Si30 45 0.0 1 14 {} {0.595520737307 0.229320013284 0.313868052415} Si31 46 0.0 1 8 {} {0.86953025143 0.591381846883 0.53577266564} O9 47 0.0 1 1 {} {0.943555141096 0.623001034072 0.522623990844} H8 48 0.0 1 8 {} {0.616001770338 0.590940125913 0.211033416799} O10 49 0.0 1 1 {} {0.51394204184 0.595016637292 0.152728964413} H9 50 0.0 1 8 {} {0.834391627045 0.178337134295 0.540935183687} O11 51 0.0 1 1 {} {0.433790049737 0.174741108259 0.600763865854} H10 52 0.0 1 8 {} {0.58465879015 0.177687192129 0.215826192621} O12 53 0.0 1 1 {} {0.683660290062 0.174110471989 0.155695387656} H11 54 0.0 1 14 {} {0.34909743682 0.308424974081 0.564162263539} Si32 55 0.0 1 14 {} {0.350066632049 0.38427347324 0.939487866559} Si33 56 0.0 1 14 {} {0.59905863204 0.308434942167 0.693580206914} Si34 57 0.0 1 14 {} {0.599668808912 0.386502677777 0.812419990101} Si35 58 0.0 1 14 {} {0.351597111087 0.536646840848 0.953185586751} Si36 59 0.0 1 14 {} {0.599307112799 0.540666384688 0.821535875026} Si37 60 0.0 1 14 {} {0.350384060703 0.465339763492 0.561175208585} Si38 61 0.0 1 14 {} {0.345777152906 0.228984480515 0.942786772285} Si39 62 0.0 1 14 {} {0.600156484153 0.464806064134 0.691553788522} Si40 63 0.0 1 14 {} {0.595556348204 0.229705845009 0.814606077118} Si41 64 0.0 1 8 {} {0.860894338474 0.589748146664 0.0448045373987} O13 65 0.0 1 1 {} {0.761451508591 0.594681722269 0.105344686252} H12 66 0.0 1 8 {} {0.595810017527 0.596372934771 0.746181508561} O14 67 0.0 1 14 {} {0.588836124263 0.661807293103 0.748230166129} Si42 68 0.0 1 8 {} {0.834560194351 0.177456877174 0.0409082330682} O15 69 0.0 1 1 {} {0.433487666567 0.173960230818 0.101234100468} H13 70 0.0 1 8 {} {0.58457607759 0.178845776024 0.714458617118} O16 71 0.0 1 1 {} {0.683879864612 0.175335842275 0.654405182594} H14 72 0.0 1 7 {} {0.436175779286 0.688545486583 0.653063446129} N 73 0.0 1 1 {} {0.433470109641 0.753690225491 0.660503473686} H16 74 0.0 1 9 {} {0.783592984714 0.679933218551 0.717124942279} F4 75 0.0 1 9 {} {0.275446998396 0.681220175176 0.384191055135} F5 76 0.0 1 9 {} {0.552506888427 0.678316877795 0.888419640294} F3 77 0.0 1 9 {} {0.140683940727 0.663033989949 0.574386022329} F1 78 0.0 1 9 {} {0.436234422528 0.791505347207 0.658483394374} F2 79 0.0 1 9 {} {0.557772411648 0.675219215888 0.465300644306} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {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