#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 {} {0.848394118142 0.307085293462 0.0630135387097} Si1 1 0.0 1 14 {} {0.848731422792 0.385225200965 0.444876966894} Si2 2 0.0 1 14 {} {0.0983770884379 0.307014377318 0.193117301388} Si3 3 0.0 1 14 {} {0.0985924026566 0.383253655245 0.317977419329} Si4 4 0.0 1 14 {} {0.856099256735 0.541099336351 0.436753232825} Si5 5 0.0 1 14 {} {0.103007194497 0.537400667124 0.307048013621} Si6 6 0.0 1 14 {} {0.850066768772 0.458899726019 0.0642761614698} Si7 7 0.0 1 14 {} {0.845133990125 0.229286124523 0.442213858518} Si8 8 0.0 1 14 {} {0.0993965193645 0.458487397848 0.19294330615} Si9 9 0.0 1 14 {} {0.0949798931211 0.228535651559 0.313923337696} Si10 10 0.0 1 8 {} {0.352256267442 0.593193253851 0.52062630386} O1 11 0.0 1 14 {} {0.337799814194 0.657915214106 0.521990104756} Si11 12 0.0 1 8 {} {0.111197292028 0.589685093649 0.211744537119} O2 13 0.0 1 1 {} {0.0114414590299 0.59342298546 0.151441025191} H1 14 0.0 1 8 {} {0.334072540698 0.17795233345 0.541184711221} O3 15 0.0 1 1 {} {0.933161104057 0.174672767985 0.601537416039} H2 16 0.0 1 8 {} {0.0837381876037 0.176882430183 0.215958653566} O4 17 0.0 1 1 {} {0.182740425167 0.173251572028 0.155868311019} H3 18 0.0 1 14 {} {0.848818882298 0.307662870759 0.564510849322} Si12 19 0.0 1 14 {} {0.849223965848 0.383741587799 0.938993823696} Si13 20 0.0 1 14 {} {0.09896287966 0.308235025502 0.693840142889} Si14 21 0.0 1 14 {} {0.0994410206174 0.386474024165 0.81211092477} Si15 22 0.0 1 14 {} {0.850760465537 0.537827238961 0.948791181904} Si16 23 0.0 1 14 {} {0.101575409541 0.54154059046 0.824213433723} Si17 24 0.0 1 14 {} {0.850062152282 0.464040382841 0.562903727337} Si18 25 0.0 1 14 {} {0.845060511847 0.228446072507 0.942687558907} Si19 26 0.0 1 14 {} {0.0991937302291 0.465296023538 0.693342697965} Si20 27 0.0 1 14 {} {0.095179275796 0.229368477897 0.814766639581} Si21 28 0.0 1 8 {} {0.362647802328 0.588762461419 0.0473206237171} O5 29 0.0 1 1 {} {0.262263344163 0.593897402491 0.106387643708} H4 30 0.0 1 8 {} {0.125747541596 0.598700616268 0.752039683514} O6 31 0.0 1 1 {} {0.0277956618063 0.622465279614 0.736318414816} H5 32 0.0 1 8 {} {0.333881329883 0.176900989318 0.0410993981747} O7 33 0.0 1 1 {} {0.932937116779 0.173346174379 0.101158823685} H6 34 0.0 1 8 {} {0.0840926336165 0.178529150416 0.714535888967} O8 35 0.0 1 1 {} {0.183461472238 0.174896428106 0.654593224581} H7 36 0.0 1 14 {} {0.348276570477 0.307009857131 0.0629856624417} Si22 37 0.0 1 14 {} {0.348665104517 0.385487201029 0.444832179631} Si23 38 0.0 1 14 {} {0.598253335053 0.307040646898 0.193081264908} Si24 39 0.0 1 14 {} {0.598811879478 0.383344392343 0.317889381565} Si25 40 0.0 1 14 {} {0.353819753018 0.539933520844 0.433960375456} Si26 41 0.0 1 14 {} {0.606625922527 0.538177225855 0.308237085216} Si27 42 0.0 1 14 {} {0.350309772739 0.458111931666 0.0665006172615} Si28 43 0.0 1 14 {} {0.345082388417 0.229191518282 0.442067545993} Si29 44 0.0 1 14 {} {0.60137873808 0.458859988473 0.193544032869} Si30 45 0.0 1 14 {} {0.595115764959 0.228586883092 0.313974646844} Si31 46 0.0 1 8 {} {0.85447187023 0.593606269041 0.526879763071} O9 47 0.0 1 1 {} {0.938983388488 0.622572455816 0.518463848894} H8 48 0.0 1 8 {} {0.614342771794 0.589887992639 0.211450335353} O10 49 0.0 1 1 {} {0.512998582774 0.594034143346 0.152454804946} H9 50 0.0 1 8 {} {0.833898934003 0.178094943466 0.541445297836} O11 51 0.0 1 1 {} {0.433253732913 0.174408982888 0.60128020358} H10 52 0.0 1 8 {} {0.584037068888 0.176974487653 0.215912375639} O12 53 0.0 1 1 {} {0.682990575282 0.173395556029 0.155757970291} H11 54 0.0 1 14 {} {0.348616830623 0.307762709429 0.564039018788} Si32 55 0.0 1 14 {} {0.349168092968 0.383583517864 0.939322074473} Si33 56 0.0 1 14 {} {0.598494316798 0.30793584676 0.693558281254} Si34 57 0.0 1 14 {} {0.598968603182 0.385904468732 0.812159978496} Si35 58 0.0 1 14 {} {0.349676325298 0.536654729719 0.952011989953} Si36 59 0.0 1 14 {} {0.59760467206 0.539928109122 0.823847908176} Si37 60 0.0 1 14 {} {0.348835680838 0.463890155893 0.563248047666} Si38 61 0.0 1 14 {} {0.345055966173 0.22841375593 0.942777403623} Si39 62 0.0 1 14 {} {0.599263989921 0.464289579935 0.692406611173} Si40 63 0.0 1 14 {} {0.595026580943 0.229241361721 0.814705810404} Si41 64 0.0 1 8 {} {0.861580849537 0.589803755313 0.0448790722225} O13 65 0.0 1 1 {} {0.761650139443 0.594240778573 0.104982377696} H12 66 0.0 1 8 {} {0.595024045691 0.595086237863 0.743387018023} O14 67 0.0 1 14 {} {0.603193672532 0.659874636168 0.739012493127} Si42 68 0.0 1 8 {} {0.83394029178 0.176934251753 0.0410262073528} O15 69 0.0 1 1 {} {0.432876761672 0.173330997422 0.101216852173} H13 70 0.0 1 8 {} {0.584012500566 0.178320965386 0.714724769865} O16 71 0.0 1 1 {} {0.683328823155 0.174803711531 0.654687047201} H14 72 0.0 1 7 {} {0.46914678827 0.685564532433 0.629360433258} N 73 0.0 1 1 {} {0.43431806553 0.747621449912 0.655979567515} H16 74 0.0 1 9 {} {0.804970689868 0.674587238957 0.720185423315} F4 75 0.0 1 9 {} {0.361776578114 0.679219039652 0.385347535587} F5 76 0.0 1 9 {} {0.557803540892 0.679995529338 0.875208401054} F3 77 0.0 1 9 {} {0.132942846663 0.668473539354 0.547230583415} F1 78 0.0 1 9 {} {0.416274456777 0.782807929625 0.675979762976} F2 79 0.0 1 9 {} {0.590884444025 0.744053607583 0.516140447279} 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