#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 {} {0.848050309146 0.306857021112 0.0632016468588} Si1 1 0.0 1 14 {} {0.848395942215 0.385072227301 0.444710474371} Si2 2 0.0 1 14 {} {0.09790474009 0.306834356064 0.193132902964} Si3 3 0.0 1 14 {} {0.0982483618715 0.383023736249 0.317945610535} Si4 4 0.0 1 14 {} {0.854839962484 0.541007755874 0.435408524907} Si5 5 0.0 1 14 {} {0.103282699484 0.53719815735 0.307858124624} Si6 6 0.0 1 14 {} {0.848790819897 0.458109306119 0.0653229057693} Si7 7 0.0 1 14 {} {0.844419269774 0.229031932624 0.442061207045} Si8 8 0.0 1 14 {} {0.0990973449282 0.458189862631 0.192976890821} Si9 9 0.0 1 14 {} {0.0944264412337 0.228363416968 0.314142119075} Si10 10 0.0 1 8 {} {0.359226051302 0.593288340662 0.519900809422} O1 11 0.0 1 14 {} {0.344305542133 0.658043963485 0.522718759529} Si11 12 0.0 1 8 {} {0.111737646961 0.589487187709 0.212280892027} O2 13 0.0 1 1 {} {0.0119691528259 0.593289918891 0.151990025987} H1 14 0.0 1 8 {} {0.333533661724 0.177697960042 0.541409058849} O3 15 0.0 1 1 {} {0.932750352129 0.174641466196 0.60186915882} H2 16 0.0 1 8 {} {0.0833522734947 0.176710974738 0.216024642666} O4 17 0.0 1 1 {} {0.182359975101 0.173209860366 0.155875762566} H3 18 0.0 1 14 {} {0.848102718034 0.307474722208 0.564306462457} Si12 19 0.0 1 14 {} {0.849138109297 0.383304332863 0.939036090293} Si13 20 0.0 1 14 {} {0.0980944739356 0.307729520354 0.69349198954} Si14 21 0.0 1 14 {} {0.0991812302311 0.385736278017 0.812048493199} Si15 22 0.0 1 14 {} {0.849270014006 0.536751614428 0.949483122366} Si16 23 0.0 1 14 {} {0.0980567288615 0.540354258625 0.82376143452} Si17 24 0.0 1 14 {} {0.84994053788 0.463931990657 0.562392486276} Si18 25 0.0 1 14 {} {0.844451638091 0.228281542364 0.942768240976} Si19 26 0.0 1 14 {} {0.0990050378126 0.464216653664 0.692615692264} Si20 27 0.0 1 14 {} {0.0944640386842 0.229122997626 0.814955430957} Si21 28 0.0 1 8 {} {0.361127461394 0.588673001561 0.0460969569728} O5 29 0.0 1 1 {} {0.261506431394 0.593317138139 0.106232383019} H4 30 0.0 1 8 {} {0.116036441266 0.597220437445 0.747129380166} O6 31 0.0 1 1 {} {0.0264976839597 0.62346328789 0.734302582259} H5 32 0.0 1 8 {} {0.333382338211 0.176660228632 0.0411051623908} O7 33 0.0 1 1 {} {0.932479982258 0.173295771289 0.101393966092} H6 34 0.0 1 8 {} {0.0835897944018 0.178192000497 0.714818469783} O8 35 0.0 1 1 {} {0.182944343368 0.174769325193 0.654771339959} H7 36 0.0 1 14 {} {0.347881219573 0.306827380628 0.0632546201937} Si22 37 0.0 1 14 {} {0.348692495078 0.384742074502 0.444281985613} Si23 38 0.0 1 14 {} {0.597971047452 0.306807348042 0.192940379171} Si24 39 0.0 1 14 {} {0.59880024419 0.383003382025 0.317669265367} Si25 40 0.0 1 14 {} {0.354542489537 0.539235769239 0.433495697802} Si26 41 0.0 1 14 {} {0.605631761342 0.537660779904 0.307934621648} Si27 42 0.0 1 14 {} {0.349621556171 0.458016758843 0.0660455421781} Si28 43 0.0 1 14 {} {0.344523984927 0.228882200055 0.441994063566} Si29 44 0.0 1 14 {} {0.599909162669 0.458462349729 0.193767891505} Si30 45 0.0 1 14 {} {0.594485096549 0.22832896528 0.313952738463} Si31 46 0.0 1 8 {} {0.84683812941 0.595182752171 0.520678927181} O9 47 0.0 1 1 {} {0.942178035005 0.621030148187 0.521140781987} H8 48 0.0 1 8 {} {0.614194486824 0.589109909178 0.210148499651} O10 49 0.0 1 1 {} {0.512894000451 0.59326794946 0.151030260055} H9 50 0.0 1 8 {} {0.833488049696 0.17792223166 0.541680594809} O11 51 0.0 1 1 {} {0.432670097769 0.174402958267 0.601664983052} H10 52 0.0 1 8 {} {0.583594428711 0.1766587135 0.215878944454} O12 53 0.0 1 1 {} {0.68250333085 0.173197922689 0.155613247529} H11 54 0.0 1 14 {} {0.347996910629 0.307276674623 0.564322691109} Si32 55 0.0 1 14 {} {0.348907448236 0.383302871739 0.939294311867} Si33 56 0.0 1 14 {} {0.598076108585 0.307600071396 0.693371874987} Si34 57 0.0 1 14 {} {0.599036676531 0.385443808526 0.812386928083} Si35 58 0.0 1 14 {} {0.348592084369 0.536569282952 0.950509246437} Si36 59 0.0 1 14 {} {0.597468032058 0.539609388346 0.823569988508} Si37 60 0.0 1 14 {} {0.349551649014 0.463194850899 0.563205228061} Si38 61 0.0 1 14 {} {0.344327404552 0.228258902084 0.942846441636} Si39 62 0.0 1 14 {} {0.599890230818 0.46382512737 0.692422109395} Si40 63 0.0 1 14 {} {0.594388326713 0.229051510057 0.815018923384} Si41 64 0.0 1 8 {} {0.862235673598 0.589201104406 0.0441986578448} O13 65 0.0 1 1 {} {0.762275478672 0.593284862005 0.104728619848} H12 66 0.0 1 8 {} {0.591788971647 0.594837122487 0.742322010244} O14 67 0.0 1 14 {} {0.602308238194 0.659217610498 0.741001022328} Si42 68 0.0 1 8 {} {0.833597925903 0.176700761071 0.0410778849312} O15 69 0.0 1 1 {} {0.432411735138 0.17319169751 0.101261393871} H13 70 0.0 1 8 {} {0.583473480849 0.178112028936 0.714922326979} O16 71 0.0 1 1 {} {0.682805009109 0.174780479177 0.654811901776} H14 72 0.0 1 7 {} {0.467441669945 0.684525262752 0.634887021125} N 73 0.0 1 1 {} {0.456395339932 0.726459995544 0.640180908948} H16 74 0.0 1 9 {} {0.805182006856 0.673256148956 0.721330780934} F4 75 0.0 1 9 {} {0.377220951692 0.679945318698 0.388075278945} F5 76 0.0 1 9 {} {0.55885932918 0.680842632541 0.875557623902} F3 77 0.0 1 9 {} {0.138274599955 0.669411622512 0.545304808848} F1 78 0.0 1 9 {} {0.427736283478 0.792779074823 0.664290907623} F2 79 0.0 1 9 {} {0.571421930923 0.778463957501 0.550640191241} 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