#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 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849604096627 0.308112208378 0.062212388366} Si1 1 0.0 1 14 {} {0.850340471095 0.38540045608 0.444192159027} Si2 2 0.0 1 14 {} {0.0995377992184 0.307772948757 0.192304024354} Si3 3 0.0 1 14 {} {0.0998293878218 0.383665054144 0.317595185435} Si4 4 0.0 1 14 {} {0.860674281242 0.543318459026 0.440230533864} Si5 5 0.0 1 14 {} {0.102977461702 0.53776823778 0.304197709735} Si6 6 0.0 1 14 {} {0.846648033748 0.459290327329 0.066807470965} Si7 7 0.0 1 14 {} {0.846007039452 0.230182819184 0.442273805971} Si8 8 0.0 1 14 {} {0.0992573261285 0.458693202582 0.191825475805} Si9 9 0.0 1 14 {} {0.0957270616125 0.229379899811 0.313584239736} Si10 10 0.0 1 8 {} {0.316281399251 0.588731303777 0.531649992841} O1 11 0.0 1 14 {} {0.347689118552 0.654996803428 0.518835706556} Si11 12 0.0 1 8 {} {0.113192720699 0.589681925198 0.208186281857} O2 13 0.0 1 1 {} {0.0131935526796 0.594486632539 0.148444012036} H1 14 0.0 1 8 {} {0.334879898141 0.178122546585 0.540171858018} O3 15 0.0 1 1 {} {0.933736369606 0.175411837216 0.600886371135} H2 16 0.0 1 8 {} {0.0846019372601 0.177609772298 0.215950577519} O4 17 0.0 1 1 {} {0.183558374589 0.174061711855 0.155810565908} H3 18 0.0 1 14 {} {0.85040413596 0.308416399918 0.565136404235} Si12 19 0.0 1 14 {} {0.849489687958 0.384903073038 0.938906899803} Si13 20 0.0 1 14 {} {0.0999264984732 0.30983440005 0.694995340552} Si14 21 0.0 1 14 {} {0.100852197772 0.38857705427 0.813238327049} Si15 22 0.0 1 14 {} {0.853052322233 0.537797997299 0.950882621537} Si16 23 0.0 1 14 {} {0.104631447839 0.54337515583 0.820098181192} Si17 24 0.0 1 14 {} {0.851680979229 0.464525450494 0.559993621204} Si18 25 0.0 1 14 {} {0.845978588314 0.229416618521 0.94247634262} Si19 26 0.0 1 14 {} {0.101550623924 0.466733496063 0.690213586367} Si20 27 0.0 1 14 {} {0.0961975549787 0.230678497346 0.814911671994} Si21 28 0.0 1 8 {} {0.363682810072 0.589705105032 0.0467501517122} O5 29 0.0 1 1 {} {0.263509324558 0.594258012801 0.10715203476} H4 30 0.0 1 8 {} {0.109431644463 0.603821532591 0.779478519808} O6 31 0.0 1 1 {} {0.109266006019 0.626879113226 0.708169585714} H5 32 0.0 1 8 {} {0.334956098322 0.177966933048 0.041034425473} O7 33 0.0 1 1 {} {0.933883960572 0.174279516212 0.100986911572} H6 34 0.0 1 8 {} {0.0851478999086 0.180167926043 0.713811059538} O8 35 0.0 1 1 {} {0.184620901508 0.176284142728 0.654021167047} H7 36 0.0 1 14 {} {0.349737383837 0.308155708277 0.0623894587444} Si22 37 0.0 1 14 {} {0.350454309292 0.384630243698 0.443386252037} Si23 38 0.0 1 14 {} {0.599775438978 0.308396442584 0.192375584348} Si24 39 0.0 1 14 {} {0.60083900581 0.384423497089 0.31780223033} Si25 40 0.0 1 14 {} {0.348837642265 0.540056969681 0.436471581745} Si26 41 0.0 1 14 {} {0.606155577286 0.543761270605 0.314391810821} Si27 42 0.0 1 14 {} {0.354807600491 0.459013019104 0.0692768789071} Si28 43 0.0 1 14 {} {0.345510508801 0.229762387196 0.442156568313} Si29 44 0.0 1 14 {} {0.602396992988 0.462172187721 0.201104214059} Si30 45 0.0 1 14 {} {0.595795097358 0.22997003305 0.313878026617} Si31 46 0.0 1 8 {} {0.875281131849 0.590938390838 0.541106429419} O9 47 0.0 1 1 {} {0.954529780298 0.62154177529 0.537392825139} H8 48 0.0 1 8 {} {0.618417091349 0.591250178908 0.207570850359} O10 49 0.0 1 1 {} {0.515603497534 0.59593152194 0.150285433413} H9 50 0.0 1 8 {} {0.834594095363 0.17868964843 0.540686425738} O11 51 0.0 1 1 {} {0.43379705767 0.174780664369 0.600490696882} H10 52 0.0 1 8 {} {0.585077681116 0.178302919586 0.215912772716} O12 53 0.0 1 1 {} {0.684070892887 0.174649066512 0.155822197677} H11 54 0.0 1 14 {} {0.349079663909 0.307889502326 0.564852293396} Si32 55 0.0 1 14 {} {0.351761262366 0.385062109027 0.939588148599} Si33 56 0.0 1 14 {} {0.599579916281 0.30887152881 0.693529590589} Si34 57 0.0 1 14 {} {0.600509450779 0.387028199901 0.811809586076} Si35 58 0.0 1 14 {} {0.354716499905 0.537259929136 0.9538419573} Si36 59 0.0 1 14 {} {0.60103426361 0.541830993838 0.818168450942} Si37 60 0.0 1 14 {} {0.351479581676 0.46307671975 0.5603472402} Si38 61 0.0 1 14 {} {0.346190175788 0.229461399625 0.942677007232} Si39 62 0.0 1 14 {} {0.601604917403 0.465152076704 0.690261219023} Si40 63 0.0 1 14 {} {0.596011475603 0.230170261357 0.814596475605} Si41 64 0.0 1 8 {} {0.862023753682 0.590354267382 0.0435658991109} O13 65 0.0 1 1 {} {0.763269066278 0.594375274478 0.105802474417} H12 66 0.0 1 8 {} {0.595716736257 0.597248989932 0.742837261995} O14 67 0.0 1 14 {} {0.591769024851 0.662951289022 0.74085614126} Si42 68 0.0 1 8 {} {0.834923594317 0.177929677061 0.0408534336821} O15 69 0.0 1 1 {} {0.433960364607 0.174443565631 0.101163787112} H13 70 0.0 1 8 {} {0.584803328193 0.179389504412 0.714264260355} O16 71 0.0 1 1 {} {0.684099171828 0.175851154788 0.654216750115} H14 72 0.0 1 7 {} {0.455262280741 0.68750379909 0.634480446414} N 73 0.0 1 1 {} {0.441550764643 0.751466444962 0.646236295547} H16 74 0.0 1 9 {} {0.789461486208 0.680983797726 0.722062622821} F4 75 0.0 1 9 {} {0.275515599261 0.682538158761 0.397330709128} F5 76 0.0 1 9 {} {0.539659257311 0.680168695807 0.87781797168} F3 77 0.0 1 9 {} {0.141182281555 0.662775375756 0.587555314343} F1 78 0.0 1 9 {} {0.436886627834 0.791593297019 0.662618925655} F2 79 0.0 1 9 {} {0.542312338561 0.658325802697 0.453001619835} 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