#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 {} {0.84954540806 0.308033289307 0.0624285447109} Si1 1 0.0 1 14 {} {0.850210984143 0.385356858372 0.444312088352} Si2 2 0.0 1 14 {} {0.0995066162548 0.307695259731 0.192447726445} Si3 3 0.0 1 14 {} {0.09962481424 0.383653540385 0.317615917524} Si4 4 0.0 1 14 {} {0.860245574672 0.543017873218 0.439740869198} Si5 5 0.0 1 14 {} {0.103118538112 0.537755819069 0.304691939488} Si6 6 0.0 1 14 {} {0.847065256369 0.459171793296 0.0666787619784} Si7 7 0.0 1 14 {} {0.845933658064 0.230067989268 0.442247444557} Si8 8 0.0 1 14 {} {0.0993005740914 0.458711326927 0.19218854829} Si9 9 0.0 1 14 {} {0.0956661124149 0.229266430225 0.31360398332} Si10 10 0.0 1 8 {} {0.333197644135 0.592438072025 0.523722468893} O1 11 0.0 1 14 {} {0.351016645053 0.658710014412 0.517736259101} Si11 12 0.0 1 8 {} {0.113171367397 0.589499683384 0.208416113217} O2 13 0.0 1 1 {} {0.0131408012506 0.594395896523 0.148987387515} H1 14 0.0 1 8 {} {0.334848533981 0.178091550139 0.54026779284} O3 15 0.0 1 1 {} {0.933727840557 0.175356985004 0.600957252603} H2 16 0.0 1 8 {} {0.0845568431226 0.177516212957 0.215912007996} O4 17 0.0 1 1 {} {0.183557704751 0.173970350015 0.155806504412} H3 18 0.0 1 14 {} {0.850207890939 0.308307378122 0.565091444042} Si12 19 0.0 1 14 {} {0.849364960115 0.384784355718 0.938997083122} Si13 20 0.0 1 14 {} {0.0998322732915 0.309680984439 0.694776138125} Si14 21 0.0 1 14 {} {0.100610915596 0.388307520437 0.813200943169} Si15 22 0.0 1 14 {} {0.852445807213 0.537574614093 0.950950691913} Si16 23 0.0 1 14 {} {0.10396898021 0.543122165907 0.820700550053} Si17 24 0.0 1 14 {} {0.851258904234 0.464502112492 0.55991687043} Si18 25 0.0 1 14 {} {0.84596009256 0.229341479569 0.942548721232} Si19 26 0.0 1 14 {} {0.101317356143 0.466522124589 0.690114488914} Si20 27 0.0 1 14 {} {0.0961502386474 0.230558615228 0.814893171463} Si21 28 0.0 1 8 {} {0.363690671154 0.589546029677 0.046706314962} O5 29 0.0 1 1 {} {0.263493597375 0.594169574066 0.106953149584} H4 30 0.0 1 8 {} {0.109236257328 0.604224170378 0.781309900031} O6 31 0.0 1 1 {} {0.107944142503 0.626391144303 0.704886319288} H5 32 0.0 1 8 {} {0.334865443739 0.177845583915 0.0410594218176} O7 33 0.0 1 1 {} {0.933864746606 0.174169191428 0.10098934384} H6 34 0.0 1 8 {} {0.0850021763642 0.180036852748 0.713804414468} O8 35 0.0 1 1 {} {0.184558424589 0.176147621501 0.654106553679} H7 36 0.0 1 14 {} {0.349637033509 0.308046351426 0.0625517840702} Si22 37 0.0 1 14 {} {0.350232432247 0.384787423022 0.443332375454} Si23 38 0.0 1 14 {} {0.59966231373 0.308288961654 0.192430442224} Si24 39 0.0 1 14 {} {0.600772192047 0.384225753016 0.318036059931} Si25 40 0.0 1 14 {} {0.350735942527 0.541163559673 0.436038110549} Si26 41 0.0 1 14 {} {0.606934778511 0.542319974816 0.312515246091} Si27 42 0.0 1 14 {} {0.354287955952 0.458994245075 0.0691097605706} Si28 43 0.0 1 14 {} {0.345494560313 0.229689640944 0.44212881408} Si29 44 0.0 1 14 {} {0.602467397591 0.461465687523 0.199995732181} Si30 45 0.0 1 14 {} {0.595786034608 0.229828581197 0.313863406396} Si31 46 0.0 1 8 {} {0.873908236168 0.591018821486 0.540241682725} O9 47 0.0 1 1 {} {0.952653986421 0.621799373194 0.534202924713} H8 48 0.0 1 8 {} {0.616839880134 0.591470293075 0.209597076517} O10 49 0.0 1 1 {} {0.515306916186 0.59565860805 0.150980358433} H9 50 0.0 1 8 {} {0.834595787039 0.178601249596 0.540729531582} O11 51 0.0 1 1 {} {0.433829936232 0.174743237336 0.600540207608} H10 52 0.0 1 8 {} {0.585043805216 0.178167145434 0.21589075687} O12 53 0.0 1 1 {} {0.684007488843 0.174522277339 0.155770720973} H11 54 0.0 1 14 {} {0.349087893013 0.307894435122 0.564808008745} Si32 55 0.0 1 14 {} {0.351387713632 0.384949163528 0.939741129456} Si33 56 0.0 1 14 {} {0.599501915885 0.308784976495 0.693542686512} Si34 57 0.0 1 14 {} {0.600282402848 0.386940190048 0.812031020872} Si35 58 0.0 1 14 {} {0.354290614266 0.537157830885 0.95357366675} Si36 59 0.0 1 14 {} {0.60110902111 0.541477305032 0.818937187515} Si37 60 0.0 1 14 {} {0.351706833642 0.463582042612 0.560419197513} Si38 61 0.0 1 14 {} {0.346194100617 0.229345787191 0.942689907242} Si39 62 0.0 1 14 {} {0.601626697224 0.465048710878 0.690710608343} Si40 63 0.0 1 14 {} {0.595996486084 0.230056515254 0.814589718682} Si41 64 0.0 1 8 {} {0.861584086326 0.590186082611 0.0436637628913} O13 65 0.0 1 1 {} {0.7632785891 0.594444538888 0.105571321197} H12 66 0.0 1 8 {} {0.596143557944 0.596972557587 0.743183881551} O14 67 0.0 1 14 {} {0.591625994816 0.662822718765 0.743203927948} Si42 68 0.0 1 8 {} {0.834874823664 0.177838304116 0.040892477856} O15 69 0.0 1 1 {} {0.433863302463 0.174337730055 0.101191512577} H13 70 0.0 1 8 {} {0.584744569022 0.179266804646 0.714253335194} O16 71 0.0 1 1 {} {0.684081887636 0.17571862486 0.654255730608} H14 72 0.0 1 7 {} {0.445808100153 0.688534417395 0.643918279183} N 73 0.0 1 1 {} {0.441354131165 0.752588629312 0.648621392267} H16 74 0.0 1 9 {} {0.789105304776 0.680538376007 0.720941318315} F4 75 0.0 1 9 {} {0.264360213454 0.682046770018 0.392680501086} F5 76 0.0 1 9 {} {0.542130352617 0.679977089091 0.880735125023} F3 77 0.0 1 9 {} {0.139313742607 0.662978073535 0.586974808298} F1 78 0.0 1 9 {} {0.436189371241 0.790173344907 0.661250192253} F2 79 0.0 1 9 {} {0.552996503132 0.658041635336 0.455148523799} 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