#MD System 2.0 @Title neb0_image04 @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 {} {0.848463161166 0.307200121613 0.0629779090007} Si1 1 0.0 1 14 {} {0.848929709835 0.385164206491 0.44447808145} Si2 2 0.0 1 14 {} {0.0983205178904 0.307091642157 0.192894071107} Si3 3 0.0 1 14 {} {0.0987017924987 0.383181296314 0.317916065031} Si4 4 0.0 1 14 {} {0.8562674566 0.541688062529 0.436846404695} Si5 5 0.0 1 14 {} {0.103209119257 0.53734585928 0.306906279763} Si6 6 0.0 1 14 {} {0.848221604485 0.458396147676 0.0658023027018} Si7 7 0.0 1 14 {} {0.84481131441 0.22932982447 0.442094340781} Si8 8 0.0 1 14 {} {0.0991020691624 0.45832780886 0.192608044943} Si9 9 0.0 1 14 {} {0.0947382998241 0.22864084639 0.314021081515} Si10 10 0.0 1 8 {} {0.343993396024 0.591250044452 0.523559830773} O1 11 0.0 1 14 {} {0.349941332617 0.656228577923 0.518893992354} Si11 12 0.0 1 8 {} {0.112217019198 0.589565790316 0.211087010637} O2 13 0.0 1 1 {} {0.0123021765219 0.593615526309 0.151056710603} H1 14 0.0 1 8 {} {0.333848273343 0.177803224318 0.541083500057} O3 15 0.0 1 1 {} {0.932993443055 0.174850823461 0.601623692461} H2 16 0.0 1 8 {} {0.0836861272867 0.176955043045 0.216026905342} O4 17 0.0 1 1 {} {0.182651655387 0.173434374771 0.155854729124} H3 18 0.0 1 14 {} {0.848639548537 0.307721041717 0.564527488353} Si12 19 0.0 1 14 {} {0.849251573982 0.383714414612 0.93892458847} Si13 20 0.0 1 14 {} {0.0985027749413 0.30828876426 0.693817149249} Si14 21 0.0 1 14 {} {0.0996168555238 0.386518408112 0.81249102709} Si15 22 0.0 1 14 {} {0.851060833132 0.537025621227 0.949916878436} Si16 23 0.0 1 14 {} {0.100538215666 0.541589173727 0.821274605993} Si17 24 0.0 1 14 {} {0.850447279071 0.464117638003 0.561844441805} Si18 25 0.0 1 14 {} {0.844800437725 0.228581967284 0.942690374956} Si19 26 0.0 1 14 {} {0.0997961932489 0.464992311053 0.6919117934} Si20 27 0.0 1 14 {} {0.0948673976439 0.229526658469 0.815009217787} Si21 28 0.0 1 8 {} {0.36166055001 0.589000393481 0.046241261861} O5 29 0.0 1 1 {} {0.261997321733 0.593569199426 0.106571280896} H4 30 0.0 1 8 {} {0.108587762159 0.598693532096 0.757467641954} O6 31 0.0 1 1 {} {0.0530967994397 0.623843494167 0.726635552408} H5 32 0.0 1 8 {} {0.33378083752 0.177003873664 0.0410829241129} O7 33 0.0 1 1 {} {0.932820604985 0.173561300422 0.101307957446} H6 34 0.0 1 8 {} {0.0839900309932 0.178723274298 0.714556144869} O8 35 0.0 1 1 {} {0.183373304013 0.175176187698 0.654565114581} H7 36 0.0 1 14 {} {0.348345096221 0.307185515057 0.0630533703975} Si22 37 0.0 1 14 {} {0.349191968066 0.384712138524 0.443978492685} Si23 38 0.0 1 14 {} {0.598469665265 0.307228652059 0.192757740937} Si24 39 0.0 1 14 {} {0.599355656254 0.38337681081 0.317756659597} Si25 40 0.0 1 14 {} {0.352954891277 0.539337690605 0.434506503888} Si26 41 0.0 1 14 {} {0.605591116189 0.539522491884 0.309924135164} Si27 42 0.0 1 14 {} {0.350918186685 0.458237488157 0.066964065941} Si28 43 0.0 1 14 {} {0.344758893387 0.229113078709 0.442033701868} Si29 44 0.0 1 14 {} {0.600556127208 0.459493368406 0.195677507512} Si30 45 0.0 1 14 {} {0.594812645122 0.228752612003 0.313932479581} Si31 46 0.0 1 8 {} {0.854847444347 0.593915708143 0.525739429398} O9 47 0.0 1 1 {} {0.94496044198 0.621081837139 0.525959505695} H8 48 0.0 1 8 {} {0.615657712632 0.589566831637 0.208963168566} O10 49 0.0 1 1 {} {0.513650085689 0.593968992588 0.150838039303} H9 50 0.0 1 8 {} {0.83376355146 0.178121963663 0.541422238388} O11 51 0.0 1 1 {} {0.432921358956 0.174506724501 0.601365915949} H10 52 0.0 1 8 {} {0.583989056568 0.177081839823 0.215882831711} O12 53 0.0 1 1 {} {0.682897833737 0.173579299409 0.155637782842} H11 54 0.0 1 14 {} {0.348263428031 0.307438679331 0.564465842351} Si32 55 0.0 1 14 {} {0.349651768906 0.383750492843 0.93926967935} Si33 56 0.0 1 14 {} {0.59840492789 0.307930695841 0.693367319333} Si34 57 0.0 1 14 {} {0.599436834279 0.385861262739 0.812316210759} Si35 58 0.0 1 14 {} {0.350199089165 0.536771605621 0.951555002606} Si36 59 0.0 1 14 {} {0.598576575098 0.539995345686 0.821951097859} Si37 60 0.0 1 14 {} {0.350030433926 0.463163867142 0.562412171818} Si38 61 0.0 1 14 {} {0.344792551267 0.228580008615 0.942798078226} Si39 62 0.0 1 14 {} {0.60034527505 0.464138209232 0.691711879854} Si40 63 0.0 1 14 {} {0.594755918044 0.229341163716 0.81495964381} Si41 64 0.0 1 8 {} {0.862015185562 0.589543771876 0.0440268642077} O13 65 0.0 1 1 {} {0.762491888193 0.593539615308 0.105164510531} H12 66 0.0 1 8 {} {0.593070858665 0.595222872166 0.742856298305} O14 67 0.0 1 14 {} {0.599439160544 0.65998882164 0.740775288641} Si42 68 0.0 1 8 {} {0.833942305781 0.177015861636 0.0410109594918} O15 69 0.0 1 1 {} {0.432807229252 0.17352430137 0.10123512532} H13 70 0.0 1 8 {} {0.583811774428 0.178457639104 0.714753977345} O16 71 0.0 1 1 {} {0.683120792091 0.175073059449 0.654639120437} H14 72 0.0 1 7 {} {0.464996429894 0.685703350151 0.633452260181} N 73 0.0 1 1 {} {0.45208398344 0.736783486125 0.64284121369} H16 74 0.0 1 9 {} {0.800860908484 0.675408841065 0.721470455601} F4 75 0.0 1 9 {} {0.347097400799 0.681129759917 0.391200996521} F5 76 0.0 1 9 {} {0.553628966131 0.680687976099 0.875920647469} F3 77 0.0 1 9 {} {0.144299044925 0.667556490349 0.556242274079} F1 78 0.0 1 9 {} {0.428215609193 0.792629542127 0.665359518893} F2 79 0.0 1 9 {} {0.562835820779 0.744698073606 0.525534927623} 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 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 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 0 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 0 36 2 0 0 63 56 0 0 44 41 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 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 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 68 33 {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 41 44 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 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