#MD System 2.0 @Title neb0_image02 @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 {} {0.848218911431 0.306920278364 0.0632113672166} Si1 1 0.0 1 14 {} {0.848521505565 0.385144794508 0.444838005631} Si2 2 0.0 1 14 {} {0.0980769795204 0.306869981317 0.193045295419} Si3 3 0.0 1 14 {} {0.0983102217317 0.383137067604 0.317864266927} Si4 4 0.0 1 14 {} {0.854661049756 0.540966352985 0.435636410275} Si5 5 0.0 1 14 {} {0.103182516868 0.537358059429 0.308188213507} Si6 6 0.0 1 14 {} {0.849943128979 0.458520408891 0.0647433571029} Si7 7 0.0 1 14 {} {0.844669455224 0.229108793023 0.442054092475} Si8 8 0.0 1 14 {} {0.0994829768122 0.458418096262 0.193092292545} Si9 9 0.0 1 14 {} {0.0946128552925 0.228394182706 0.31413893458} Si10 10 0.0 1 8 {} {0.358417993119 0.592476492979 0.519511268814} O1 11 0.0 1 14 {} {0.337447957143 0.65640264733 0.525209592219} Si11 12 0.0 1 8 {} {0.111521264473 0.58969287169 0.212397484074} O2 13 0.0 1 1 {} {0.0118110808497 0.593152474386 0.151986991392} H1 14 0.0 1 8 {} {0.33382978963 0.177740248048 0.541317742834} O3 15 0.0 1 1 {} {0.932963560249 0.174687420154 0.601761405352} H2 16 0.0 1 8 {} {0.0835803752176 0.176714056052 0.216012651552} O4 17 0.0 1 1 {} {0.182570045927 0.173276889732 0.155829583852} H3 18 0.0 1 14 {} {0.848460797087 0.307531608489 0.564454659907} Si12 19 0.0 1 14 {} {0.849139802851 0.383447302549 0.939080346369} Si13 20 0.0 1 14 {} {0.0985357274425 0.307863847217 0.693517480145} Si14 21 0.0 1 14 {} {0.0993113471817 0.385985665584 0.812159104975} Si15 22 0.0 1 14 {} {0.850167170089 0.537262967937 0.948633641472} Si16 23 0.0 1 14 {} {0.100072822388 0.541276445554 0.82307772865} Si17 24 0.0 1 14 {} {0.850077086544 0.464035878344 0.562852595318} Si18 25 0.0 1 14 {} {0.844725555073 0.228337480197 0.942650815152} Si19 26 0.0 1 14 {} {0.0988659049061 0.46485349187 0.693240842539} Si20 27 0.0 1 14 {} {0.0947900802509 0.229154297626 0.814982893231} Si21 28 0.0 1 8 {} {0.361905319134 0.588710950787 0.0463608685699} O5 29 0.0 1 1 {} {0.262031735213 0.593364812028 0.106038120449} H4 30 0.0 1 8 {} {0.121460149553 0.597725051761 0.747704971561} O6 31 0.0 1 1 {} {0.0229709797067 0.622058335046 0.73773436287} H5 32 0.0 1 8 {} {0.33366974923 0.176708859137 0.0410520985721} O7 33 0.0 1 1 {} {0.93272601336 0.173362726786 0.101290976812} H6 34 0.0 1 8 {} {0.0838541181611 0.178225641745 0.714758185718} O8 35 0.0 1 1 {} {0.183204300802 0.17482976795 0.654691743432} H7 36 0.0 1 14 {} {0.348045184401 0.306893521312 0.0632450204762} Si22 37 0.0 1 14 {} {0.348494758895 0.385132291 0.444661831589} Si23 38 0.0 1 14 {} {0.598115784126 0.30684663177 0.192882272318} Si24 39 0.0 1 14 {} {0.598727586151 0.383075590431 0.317759659663} Si25 40 0.0 1 14 {} {0.35494654644 0.538835047327 0.432423986134} Si26 41 0.0 1 14 {} {0.606128880786 0.537649088031 0.307957782041} Si27 42 0.0 1 14 {} {0.349651201709 0.458175594416 0.066086038254} Si28 43 0.0 1 14 {} {0.344719088852 0.228987506709 0.44197579547} Si29 44 0.0 1 14 {} {0.600556322358 0.458561501981 0.193224553067} Si30 45 0.0 1 14 {} {0.594689309609 0.228432574414 0.314064877809} Si31 46 0.0 1 8 {} {0.848137221846 0.594863580098 0.522081584031} O9 47 0.0 1 1 {} {0.941824903992 0.621159165846 0.51949492097} H8 48 0.0 1 8 {} {0.613854246229 0.589531864685 0.211225016935} O10 49 0.0 1 1 {} {0.512857655918 0.593310023052 0.15187513722} H9 50 0.0 1 8 {} {0.833697326847 0.177938532934 0.54158038817} O11 51 0.0 1 1 {} {0.433001110831 0.174459348 0.601546382257} H10 52 0.0 1 8 {} {0.583782610172 0.176748752952 0.215961732135} O12 53 0.0 1 1 {} {0.682715306694 0.173334365117 0.155726596061} H11 54 0.0 1 14 {} {0.348370517479 0.307467634329 0.564270416331} Si32 55 0.0 1 14 {} {0.349038125541 0.383442478739 0.939433645891} Si33 56 0.0 1 14 {} {0.598365397576 0.307722512551 0.693421221197} Si34 57 0.0 1 14 {} {0.598982367442 0.385629620822 0.812264342125} Si35 58 0.0 1 14 {} {0.347836678773 0.536573481362 0.950780590969} Si36 59 0.0 1 14 {} {0.59697187569 0.538736582993 0.825073641768} Si37 60 0.0 1 14 {} {0.348994353695 0.463612716384 0.563565268299} Si38 61 0.0 1 14 {} {0.344701884336 0.228312633543 0.942741132686} Si39 62 0.0 1 14 {} {0.59963761373 0.463878623934 0.692169858367} Si40 63 0.0 1 14 {} {0.594698021808 0.229110981231 0.814957098069} Si41 64 0.0 1 8 {} {0.861641064412 0.589517414974 0.0444154818204} O13 65 0.0 1 1 {} {0.761947173066 0.593650441988 0.104884276858} H12 66 0.0 1 8 {} {0.593749569135 0.593702618319 0.743497034163} O14 67 0.0 1 14 {} {0.600648944928 0.657836541721 0.742805206681} Si42 68 0.0 1 8 {} {0.83380762644 0.176755948155 0.0410137730083} O15 69 0.0 1 1 {} {0.432635378968 0.173300599787 0.101269657374} H13 70 0.0 1 8 {} {0.583740773264 0.178134916402 0.714892733139} O16 71 0.0 1 1 {} {0.683067201917 0.174814256197 0.654780273021} H14 72 0.0 1 7 {} {0.460175018606 0.682792096467 0.638272203904} N 73 0.0 1 1 {} {0.45467479448 0.723967800747 0.640525338381} H16 74 0.0 1 9 {} {0.801798570465 0.673827669376 0.72134020668} F4 75 0.0 1 9 {} {0.375567350803 0.680330191913 0.391805927961} F5 76 0.0 1 9 {} {0.560709494086 0.68074631248 0.87703253234} F3 77 0.0 1 9 {} {0.131707449085 0.669161953284 0.54317205457} F1 78 0.0 1 9 {} {0.438102256006 0.792233238719 0.656148860414} F2 79 0.0 1 9 {} {0.572737754593 0.781523808129 0.540824628724} 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 2 0 0 0 38 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 79 78 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 2 {1 0 0} 0 21 0 38 {0 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 78 79 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 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