#MD System 2.0 @Title neb0_image03 @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 {} {0.848490112156 0.307206224571 0.0630561564292} Si1 1 0.0 1 14 {} {0.848939126979 0.385287824907 0.44491098234} Si2 2 0.0 1 14 {} {0.0984646510308 0.307095969928 0.193161584991} Si3 3 0.0 1 14 {} {0.0986816153174 0.383373786794 0.318130104299} Si4 4 0.0 1 14 {} {0.856156249375 0.540945734961 0.436852894061} Si5 5 0.0 1 14 {} {0.103245232248 0.537497926119 0.307398054252} Si6 6 0.0 1 14 {} {0.850828804993 0.459014029439 0.0644797582825} Si7 7 0.0 1 14 {} {0.845233558974 0.229344535276 0.442134125085} Si8 8 0.0 1 14 {} {0.0994623431991 0.458499128547 0.193090105748} Si9 9 0.0 1 14 {} {0.0951237419187 0.228591273013 0.314047199171} Si10 10 0.0 1 8 {} {0.352865747197 0.592923199128 0.523343679738} O1 11 0.0 1 14 {} {0.332807879655 0.657229320292 0.528402602219} Si11 12 0.0 1 8 {} {0.110906493017 0.589783548256 0.21193693541} O2 13 0.0 1 1 {} {0.0112060901073 0.593318078399 0.151364511744} H1 14 0.0 1 8 {} {0.334273011868 0.178012541867 0.541082914693} O3 15 0.0 1 1 {} {0.933250843902 0.174778131307 0.601502383913} H2 16 0.0 1 8 {} {0.0839521281623 0.176891734131 0.216073941341} O4 17 0.0 1 1 {} {0.182823779813 0.173351579355 0.155847091681} H3 18 0.0 1 14 {} {0.848942042365 0.307718028704 0.56465106914} Si12 19 0.0 1 14 {} {0.849489308988 0.383954034908 0.939037144672} Si13 20 0.0 1 14 {} {0.0991205664831 0.308387353385 0.69386748563} Si14 21 0.0 1 14 {} {0.0994047045579 0.386655359991 0.812184237231} Si15 22 0.0 1 14 {} {0.851087486541 0.537874623558 0.949042430252} Si16 23 0.0 1 14 {} {0.102387070985 0.541671594763 0.824729345173} Si17 24 0.0 1 14 {} {0.850092544891 0.463957256933 0.563032668659} Si18 25 0.0 1 14 {} {0.84516317133 0.228498250228 0.942552869596} Si19 26 0.0 1 14 {} {0.0991456033431 0.465337994048 0.693354094511} Si20 27 0.0 1 14 {} {0.0953033438949 0.229465625034 0.814786033668} Si21 28 0.0 1 8 {} {0.362936109927 0.588789714704 0.0474873098554} O5 29 0.0 1 1 {} {0.262320000726 0.593882190915 0.106441044442} H4 30 0.0 1 8 {} {0.125735475308 0.598683220268 0.753787961005} O6 31 0.0 1 1 {} {0.0267029787152 0.62203914936 0.736455414178} H5 32 0.0 1 8 {} {0.334107842021 0.176902963244 0.0410114529379} O7 33 0.0 1 1 {} {0.933015385132 0.173443257674 0.1011705484} H6 34 0.0 1 8 {} {0.0843194373166 0.178566465448 0.714591846297} O8 35 0.0 1 1 {} {0.183572073764 0.175023522047 0.654521694426} H7 36 0.0 1 14 {} {0.348285187145 0.30704921124 0.0630300308224} Si22 37 0.0 1 14 {} {0.348713500917 0.38549704694 0.444683452966} Si23 38 0.0 1 14 {} {0.598277990868 0.307166983532 0.193168577401} Si24 39 0.0 1 14 {} {0.598976138258 0.383655392259 0.317912739213} Si25 40 0.0 1 14 {} {0.353814716945 0.539793474229 0.43403082536} Si26 41 0.0 1 14 {} {0.60667525682 0.538286479677 0.308608620338} Si27 42 0.0 1 14 {} {0.350448836371 0.457992190398 0.0672389730612} Si28 43 0.0 1 14 {} {0.345155806198 0.229315876505 0.442022325959} Si29 44 0.0 1 14 {} {0.602038582999 0.459018014481 0.193160980646} Si30 45 0.0 1 14 {} {0.595147838649 0.228637459697 0.314103105489} Si31 46 0.0 1 8 {} {0.853919146645 0.59338782929 0.527354429427} O9 47 0.0 1 1 {} {0.938239661019 0.622317077964 0.51808719196} H8 48 0.0 1 8 {} {0.614376077826 0.59019705752 0.212046152741} O10 49 0.0 1 1 {} {0.513057293771 0.594015755356 0.152843389244} H9 50 0.0 1 8 {} {0.834082598509 0.178086611001 0.541311716749} O11 51 0.0 1 1 {} {0.433383074226 0.174525717845 0.601245716382} H10 52 0.0 1 8 {} {0.584245207105 0.176981358439 0.21599849575} O12 53 0.0 1 1 {} {0.683111133738 0.173516891789 0.155722243778} H11 54 0.0 1 14 {} {0.348685256956 0.30784701048 0.564133254642} Si32 55 0.0 1 14 {} {0.349152046238 0.383692256858 0.939340241484} Si33 56 0.0 1 14 {} {0.598553894558 0.307916449095 0.693474153654} Si34 57 0.0 1 14 {} {0.599175173558 0.385793065364 0.812430648608} Si35 58 0.0 1 14 {} {0.350929818426 0.536483914193 0.952471687465} Si36 59 0.0 1 14 {} {0.598565486141 0.539176377624 0.82484762115} Si37 60 0.0 1 14 {} {0.348776334914 0.463789983494 0.563390709763} Si38 61 0.0 1 14 {} {0.345167244816 0.228449012364 0.942644160497} Si39 62 0.0 1 14 {} {0.599239781421 0.464049029481 0.692530772245} Si40 63 0.0 1 14 {} {0.595084645036 0.229276842274 0.814725957586} Si41 64 0.0 1 8 {} {0.861743775323 0.590041271041 0.0448885471477} O13 65 0.0 1 1 {} {0.761470220012 0.594251346013 0.104785630949} H12 66 0.0 1 8 {} {0.593834343095 0.594306641181 0.743615170658} O14 67 0.0 1 14 {} {0.596654546421 0.658963947428 0.743055343256} Si42 68 0.0 1 8 {} {0.834117335017 0.176937700315 0.0409260617691} O15 69 0.0 1 1 {} {0.432975943594 0.173442866328 0.101273591363} H13 70 0.0 1 8 {} {0.584239288974 0.178297418308 0.71479077491} O16 71 0.0 1 1 {} {0.683447615781 0.174907843544 0.65462587088} H14 72 0.0 1 7 {} {0.449367345312 0.683905231511 0.644134282714} N 73 0.0 1 1 {} {0.437305964445 0.725839328285 0.651272655421} H16 74 0.0 1 9 {} {0.797730575223 0.674885291388 0.718056057384} F4 75 0.0 1 9 {} {0.365304049149 0.680105505113 0.39301602965} F5 76 0.0 1 9 {} {0.560368936434 0.679300076999 0.880552441043} F3 77 0.0 1 9 {} {0.125213200935 0.667672408895 0.545688496514} F1 78 0.0 1 9 {} {0.455072541187 0.785948399168 0.638960135697} F2 79 0.0 1 9 {} {0.582362597257 0.765719498515 0.512532436399} 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