#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 {} {0.849325940418 0.307800096124 0.0625900673377} Si1 1 0.0 1 14 {} {0.84988693421 0.385258404853 0.444394872168} Si2 2 0.0 1 14 {} {0.0992371678375 0.307518951135 0.192591997496} Si3 3 0.0 1 14 {} {0.0992387627251 0.383545744564 0.317592320016} Si4 4 0.0 1 14 {} {0.858857126542 0.542351426674 0.43858822832} Si5 5 0.0 1 14 {} {0.103681129414 0.537796221807 0.305806481455} Si6 6 0.0 1 14 {} {0.847649231812 0.458941084123 0.0663705039705} Si7 7 0.0 1 14 {} {0.845647787342 0.229854983376 0.442210238836} Si8 8 0.0 1 14 {} {0.0994055419842 0.458667642678 0.192462792462} Si9 9 0.0 1 14 {} {0.0954095290715 0.229102099718 0.313699493905} Si10 10 0.0 1 8 {} {0.352993758165 0.59552917263 0.51688829821} O1 11 0.0 1 14 {} {0.349472752868 0.66124127037 0.517975152262} Si11 12 0.0 1 8 {} {0.112794381753 0.589464752772 0.209184322454} O2 13 0.0 1 1 {} {0.0128256357421 0.594076345533 0.149627047073} H1 14 0.0 1 8 {} {0.334611790472 0.17805969773 0.540491809688} O3 15 0.0 1 1 {} {0.933535037314 0.175223160816 0.601133496692} H2 16 0.0 1 8 {} {0.0843003080441 0.177357454515 0.215944705676} O4 17 0.0 1 1 {} {0.183311084268 0.173830441768 0.1558206172} H3 18 0.0 1 14 {} {0.84983085082 0.308093820247 0.564961240144} Si12 19 0.0 1 14 {} {0.849474050776 0.384488892091 0.939088765388} Si13 20 0.0 1 14 {} {0.0995267849263 0.30926465179 0.694515327195} Si14 21 0.0 1 14 {} {0.100286428225 0.38773055328 0.813068764957} Si15 22 0.0 1 14 {} {0.851583325463 0.537251040596 0.950590571436} Si16 23 0.0 1 14 {} {0.102288412723 0.542576522585 0.821894220327} Si17 24 0.0 1 14 {} {0.850936251806 0.46433523165 0.560272908118} Si18 25 0.0 1 14 {} {0.84565929653 0.229121778112 0.942588059405} Si19 26 0.0 1 14 {} {0.100652969977 0.466098017812 0.690857685004} Si20 27 0.0 1 14 {} {0.0957954071051 0.230259832656 0.814893357549} Si21 28 0.0 1 8 {} {0.363653192202 0.58927448158 0.0465494510785} O5 29 0.0 1 1 {} {0.26333394387 0.593944788437 0.106469132307} H4 30 0.0 1 8 {} {0.114542759362 0.603307429823 0.779993908704} O6 31 0.0 1 1 {} {0.0920905822873 0.625635090683 0.70582396169} H5 32 0.0 1 8 {} {0.334541005242 0.177599601245 0.0410714968344} O7 33 0.0 1 1 {} {0.933585087014 0.173999147308 0.101065446967} H6 34 0.0 1 8 {} {0.08469766573 0.179658442319 0.713990165808} O8 35 0.0 1 1 {} {0.184232370545 0.1758779925 0.654227755347} H7 36 0.0 1 14 {} {0.349327480117 0.307811459601 0.0627144183258} Si22 37 0.0 1 14 {} {0.349862652705 0.384973580012 0.443462875123} Si23 38 0.0 1 14 {} {0.599396263572 0.308003436412 0.192563829291} Si24 39 0.0 1 14 {} {0.600461331114 0.383936075605 0.318106653762} Si25 40 0.0 1 14 {} {0.35318216883 0.542077329344 0.435683259596} Si26 41 0.0 1 14 {} {0.606762605945 0.540728398242 0.31087804934} Si27 42 0.0 1 14 {} {0.353283445132 0.458893076315 0.0683687549303} Si28 43 0.0 1 14 {} {0.34533325078 0.2295537743 0.442033701197} Si29 44 0.0 1 14 {} {0.602104378531 0.460545388089 0.198156977347} Si30 45 0.0 1 14 {} {0.595571455623 0.229547311056 0.3138924829} Si31 46 0.0 1 8 {} {0.867722263486 0.591813758105 0.536547758634} O9 47 0.0 1 1 {} {0.949645391612 0.621695921499 0.529514428923} H8 48 0.0 1 8 {} {0.61532412516 0.591238311882 0.211212742545} O10 49 0.0 1 1 {} {0.514785138844 0.595003245333 0.151458760342} H9 50 0.0 1 8 {} {0.834376954972 0.178453874648 0.540900998048} O11 51 0.0 1 1 {} {0.433640543853 0.174696045985 0.600752718383} H10 52 0.0 1 8 {} {0.584758120206 0.177875343775 0.215917378402} O12 53 0.0 1 1 {} {0.68370382404 0.17427343987 0.155750702886} H11 54 0.0 1 14 {} {0.348921780429 0.307838910137 0.564719233443} Si32 55 0.0 1 14 {} {0.35085424892 0.38466872956 0.939767260769} Si33 56 0.0 1 14 {} {0.599261351567 0.30855376805 0.693563165275} Si34 57 0.0 1 14 {} {0.600093358722 0.386625312582 0.812193597548} Si35 58 0.0 1 14 {} {0.352449342236 0.536999405388 0.952639074237} Si36 59 0.0 1 14 {} {0.60037279225 0.540679959704 0.820985899665} Si37 60 0.0 1 14 {} {0.351173158058 0.464098417868 0.560993755445} Si38 61 0.0 1 14 {} {0.345793724216 0.229127311993 0.942730323886} Si39 62 0.0 1 14 {} {0.601306059914 0.464767846799 0.691294297436} Si40 63 0.0 1 14 {} {0.59564742021 0.229860808502 0.814659674057} Si41 64 0.0 1 8 {} {0.861541166529 0.589907559648 0.0437219906028} O13 65 0.0 1 1 {} {0.763168576817 0.594259905351 0.105126148506} H12 66 0.0 1 8 {} {0.596697698776 0.596201578054 0.743919407191} O14 67 0.0 1 14 {} {0.594805656584 0.661556117132 0.744968525922} Si42 68 0.0 1 8 {} {0.834597445256 0.177597897661 0.040921505745} O15 69 0.0 1 1 {} {0.433565863078 0.174122948423 0.101207817991} H13 70 0.0 1 8 {} {0.58448208689 0.179021153422 0.714399079774} O16 71 0.0 1 1 {} {0.683825869593 0.175534521653 0.654371640735} H14 72 0.0 1 7 {} {0.442920295532 0.687541650331 0.649562557034} N 73 0.0 1 1 {} {0.440945184156 0.751099430797 0.651200291456} H16 74 0.0 1 9 {} {0.791301424561 0.679435571235 0.720330977397} F4 75 0.0 1 9 {} {0.274437470527 0.679570564275 0.385358508462} F5 76 0.0 1 9 {} {0.546329170481 0.680001689394 0.881399188745} F3 77 0.0 1 9 {} {0.138426212778 0.664945082797 0.579345189647} F1 78 0.0 1 9 {} {0.435413859316 0.789546157639 0.660533533605} F2 79 0.0 1 9 {} {0.559575812091 0.675615962519 0.471127556549} 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