#MD System 2.0 @Title neb0_image05 @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 {} {0.848649250777 0.307332719216 0.0629982677904} Si1 1 0.0 1 14 {} {0.849189243046 0.385192516394 0.444551361236} Si2 2 0.0 1 14 {} {0.098555729861 0.30716589833 0.192702475051} Si3 3 0.0 1 14 {} {0.0987518003114 0.383289459767 0.317712802421} Si4 4 0.0 1 14 {} {0.857255620179 0.541621169044 0.436497643715} Si5 5 0.0 1 14 {} {0.102949878227 0.537370814909 0.306777311567} Si6 6 0.0 1 14 {} {0.847670351172 0.458638922721 0.066123517902} Si7 7 0.0 1 14 {} {0.845044199516 0.229475675919 0.442014199597} Si8 8 0.0 1 14 {} {0.0992274517469 0.458400771444 0.192259624546} Si9 9 0.0 1 14 {} {0.0949238259662 0.228731503777 0.314049438277} Si10 10 0.0 1 8 {} {0.350898335871 0.592898959939 0.521542954315} O1 11 0.0 1 14 {} {0.33257412496 0.657466272067 0.522465544759} Si11 12 0.0 1 8 {} {0.112212318856 0.589650059867 0.210995401783} O2 13 0.0 1 1 {} {0.0124724667152 0.593662836565 0.150667742332} H1 14 0.0 1 8 {} {0.334046960965 0.177896600259 0.540960354341} O3 15 0.0 1 1 {} {0.933145701828 0.174930046876 0.601479103239} H2 16 0.0 1 8 {} {0.0837964955932 0.177056021655 0.215944130777} O4 17 0.0 1 1 {} {0.182835584584 0.173523268832 0.15584845687} H3 18 0.0 1 14 {} {0.84896955772 0.307828965568 0.56472477762} Si12 19 0.0 1 14 {} {0.849233413796 0.383956066738 0.939107016489} Si13 20 0.0 1 14 {} {0.0987535347982 0.308514792448 0.693981948173} Si14 21 0.0 1 14 {} {0.0997791897474 0.38674891101 0.812527355741} Si15 22 0.0 1 14 {} {0.84954511068 0.537041849572 0.94931015889} Si16 23 0.0 1 14 {} {0.09915007313 0.54069165282 0.824970384799} Si17 24 0.0 1 14 {} {0.850568802439 0.464055213383 0.561759503918} Si18 25 0.0 1 14 {} {0.845084555562 0.228697799985 0.942538113743} Si19 26 0.0 1 14 {} {0.0996297735801 0.464767074132 0.691090271173} Si20 27 0.0 1 14 {} {0.0951693871794 0.229691426041 0.815032073118} Si21 28 0.0 1 8 {} {0.362484095744 0.589045047583 0.046346383392} O5 29 0.0 1 1 {} {0.262381706588 0.59361845991 0.10620238078} H4 30 0.0 1 8 {} {0.12521194315 0.59954822725 0.763703102968} O6 31 0.0 1 1 {} {0.0506257445204 0.626430079328 0.719487407931} H5 32 0.0 1 8 {} {0.333934881118 0.177151970874 0.0411117480363} O7 33 0.0 1 1 {} {0.933024075913 0.173655639377 0.101212062326} H6 34 0.0 1 8 {} {0.0841382913486 0.178942097356 0.714367484853} O8 35 0.0 1 1 {} {0.183596214676 0.175330989346 0.654487079756} H7 36 0.0 1 14 {} {0.348618900919 0.307328709095 0.0630901998474} Si22 37 0.0 1 14 {} {0.349367162526 0.384747457467 0.44384599501} Si23 38 0.0 1 14 {} {0.598698193929 0.307440834204 0.192657918467} Si24 39 0.0 1 14 {} {0.599649939311 0.383589198838 0.317830833736} Si25 40 0.0 1 14 {} {0.352691110068 0.539121848468 0.432973566859} Si26 41 0.0 1 14 {} {0.606438164131 0.539358127843 0.310010950748} Si27 42 0.0 1 14 {} {0.351741412725 0.458512532227 0.0674678232141} Si28 43 0.0 1 14 {} {0.344970414378 0.229214700591 0.441842636355} Si29 44 0.0 1 14 {} {0.600761695708 0.459663324326 0.196237350855} Si30 45 0.0 1 14 {} {0.595051241125 0.228946590611 0.314085447903} Si31 46 0.0 1 8 {} {0.856115451531 0.593815566679 0.529157127648} O9 47 0.0 1 1 {} {0.946401282456 0.621151287505 0.525576569648} H8 48 0.0 1 8 {} {0.614771767048 0.590289475976 0.210448943337} O10 49 0.0 1 1 {} {0.513813521439 0.59412974746 0.150715989016} H9 50 0.0 1 8 {} {0.833896715897 0.178232129085 0.541324051166} O11 51 0.0 1 1 {} {0.433137936977 0.174540338278 0.601190256278} H10 52 0.0 1 8 {} {0.584138849735 0.177304422675 0.215859340127} O12 53 0.0 1 1 {} {0.683103195849 0.173742812717 0.155693986263} H11 54 0.0 1 14 {} {0.348415796899 0.307546744504 0.564683014779} Si32 55 0.0 1 14 {} {0.349985896864 0.384018198106 0.939529778743} Si33 56 0.0 1 14 {} {0.59868432215 0.308070868404 0.693285445117} Si34 57 0.0 1 14 {} {0.599541512635 0.386046786607 0.812198356699} Si35 58 0.0 1 14 {} {0.350562330759 0.53679114284 0.950836415105} Si36 59 0.0 1 14 {} {0.598345934573 0.540040444986 0.823563369715} Si37 60 0.0 1 14 {} {0.350395910381 0.463144095033 0.562752603633} Si38 61 0.0 1 14 {} {0.345081606169 0.228696467631 0.942658470221} Si39 62 0.0 1 14 {} {0.600638621682 0.46442976462 0.691408523045} Si40 63 0.0 1 14 {} {0.595021269318 0.229450384867 0.814969753845} Si41 64 0.0 1 8 {} {0.862398875717 0.589641874929 0.0439402432702} O13 65 0.0 1 1 {} {0.762902930748 0.593666258511 0.1047585077} H12 66 0.0 1 8 {} {0.59177163016 0.595665081198 0.742376007116} O14 67 0.0 1 14 {} {0.604835955767 0.659937457638 0.742257403307} Si42 68 0.0 1 8 {} {0.834055193659 0.177170584102 0.0410300519402} O15 69 0.0 1 1 {} {0.432995662348 0.173661717094 0.101207240038} H13 70 0.0 1 8 {} {0.583952721584 0.178596750909 0.714601592279} O16 71 0.0 1 1 {} {0.683326808329 0.175168475102 0.654577334062} H14 72 0.0 1 7 {} {0.469301926664 0.686316684093 0.628323710548} N 73 0.0 1 1 {} {0.440372997422 0.748422650147 0.649755440323} H16 74 0.0 1 9 {} {0.803117812888 0.67703836154 0.720340336262} F4 75 0.0 1 9 {} {0.340582491555 0.679024358313 0.384891851856} F5 76 0.0 1 9 {} {0.549327516332 0.680879454287 0.876073508571} F3 77 0.0 1 9 {} {0.130748194815 0.66768593299 0.564895227668} F1 78 0.0 1 9 {} {0.4287643447 0.785692486043 0.667683425636} F2 79 0.0 1 9 {} {0.572067758069 0.726482402688 0.514095135842} 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