#MD System 2.0 @Title neb0_image01 @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 {} {0.847811181832 0.306655398682 0.0634213189082} Si1 1 0.0 1 14 {} {0.848075878854 0.385019217433 0.444725774356} Si2 2 0.0 1 14 {} {0.0976416566208 0.306687918834 0.193225981213} Si3 3 0.0 1 14 {} {0.0980046635422 0.38291039588 0.318079612348} Si4 4 0.0 1 14 {} {0.853690788906 0.540674422149 0.434752565522} Si5 5 0.0 1 14 {} {0.103296549952 0.537101239805 0.308505599055} Si6 6 0.0 1 14 {} {0.849149277534 0.457897545459 0.0651544210105} Si7 7 0.0 1 14 {} {0.844146746548 0.22883338147 0.441996547688} Si8 8 0.0 1 14 {} {0.0990504205371 0.458105799307 0.193080481376} Si9 9 0.0 1 14 {} {0.0942154618671 0.228197275247 0.314245235106} Si10 10 0.0 1 8 {} {0.363153334947 0.593255819231 0.518511025247} O1 11 0.0 1 14 {} {0.348178666887 0.657735454289 0.520587418443} Si11 12 0.0 1 8 {} {0.11153480107 0.589490901234 0.212920868141} O2 13 0.0 1 1 {} {0.0117741055949 0.59308342593 0.152593537693} H1 14 0.0 1 8 {} {0.333288597527 0.177619019804 0.541591923556} O3 15 0.0 1 1 {} {0.932576166535 0.174525738843 0.602034508286} H2 16 0.0 1 8 {} {0.0831412949491 0.176554371957 0.216064496038} O4 17 0.0 1 1 {} {0.182153475886 0.173082111069 0.155878129405} H3 18 0.0 1 14 {} {0.847637707053 0.307314515461 0.564203552029} Si12 19 0.0 1 14 {} {0.849064631925 0.383025412758 0.938976576439} Si13 20 0.0 1 14 {} {0.0977211874943 0.307379931017 0.693134717364} Si14 21 0.0 1 14 {} {0.0989007870454 0.385279769464 0.811960434064} Si15 22 0.0 1 14 {} {0.849412555015 0.536620677824 0.949218160433} Si16 23 0.0 1 14 {} {0.0977686938872 0.540241593105 0.823108772002} Si17 24 0.0 1 14 {} {0.84970804524 0.463847868365 0.562909187145} Si18 25 0.0 1 14 {} {0.844120330099 0.228086370146 0.942800358995} Si19 26 0.0 1 14 {} {0.0986887494527 0.463902280472 0.692993855696} Si20 27 0.0 1 14 {} {0.0941110180681 0.228859762984 0.81500810436} Si21 28 0.0 1 8 {} {0.360656117045 0.588561359737 0.0459320242512} O5 29 0.0 1 1 {} {0.261129592093 0.593135737885 0.106135101311} H4 30 0.0 1 8 {} {0.110704796823 0.596342165957 0.742543786461} O6 31 0.0 1 1 {} {0.0178754387023 0.621886357496 0.738679257849} H5 32 0.0 1 8 {} {0.333101368801 0.176427281964 0.0410957044399} O7 33 0.0 1 1 {} {0.932235118897 0.173147113518 0.101465727271} H6 34 0.0 1 8 {} {0.0833312494567 0.177860953323 0.715016873279} O8 35 0.0 1 1 {} {0.18265798806 0.174530988028 0.654888796965} H7 36 0.0 1 14 {} {0.347569592032 0.306612391168 0.0634468056569} Si22 37 0.0 1 14 {} {0.348408813641 0.384767791767 0.444380963104} Si23 38 0.0 1 14 {} {0.597672320776 0.306546103353 0.19299396705} Si24 39 0.0 1 14 {} {0.598474792155 0.382764116932 0.317704254689} Si25 40 0.0 1 14 {} {0.355357265596 0.53898173766 0.4332061353} Si26 41 0.0 1 14 {} {0.60537307704 0.536886071961 0.307126802135} Si27 42 0.0 1 14 {} {0.348680370235 0.457815192312 0.065566783721} Si28 43 0.0 1 14 {} {0.344335091196 0.228736620842 0.441955803722} Si29 44 0.0 1 14 {} {0.599460602606 0.457899923897 0.192539874501} Si30 45 0.0 1 14 {} {0.594267212951 0.228044552505 0.313978204385} Si31 46 0.0 1 8 {} {0.842402922 0.595774469786 0.516975864508} O9 47 0.0 1 1 {} {0.939750181509 0.620838151735 0.518864912248} H8 48 0.0 1 8 {} {0.613759840357 0.588677386509 0.210171610209} O10 49 0.0 1 1 {} {0.512453672579 0.592803280264 0.151144545755} H9 50 0.0 1 8 {} {0.83329182497 0.177781156141 0.541816508953} O11 51 0.0 1 1 {} {0.432466894683 0.174355661517 0.601864546997} H10 52 0.0 1 8 {} {0.583340777822 0.176366461197 0.215886302116} O12 53 0.0 1 1 {} {0.68224359204 0.172966540091 0.155564284961} H11 54 0.0 1 14 {} {0.347785979191 0.307183074446 0.564252881152} Si32 55 0.0 1 14 {} {0.348430231416 0.382997528957 0.939174421587} Si33 56 0.0 1 14 {} {0.597756608209 0.307378196034 0.693261182294} Si34 57 0.0 1 14 {} {0.598760796411 0.385172251045 0.812584718112} Si35 58 0.0 1 14 {} {0.347477407858 0.536496825443 0.950047846562} Si36 59 0.0 1 14 {} {0.596985847088 0.539056483713 0.824368276652} Si37 60 0.0 1 14 {} {0.349207608479 0.463199125796 0.563743428726} Si38 61 0.0 1 14 {} {0.343963160339 0.22804782628 0.942866177697} Si39 62 0.0 1 14 {} {0.599603265871 0.463564429221 0.692601660063} Si40 63 0.0 1 14 {} {0.594059311255 0.22885353611 0.815131232439} Si41 64 0.0 1 8 {} {0.862140568717 0.589056135239 0.0442598571873} O13 65 0.0 1 1 {} {0.762046944837 0.593057021265 0.104680346052} H12 66 0.0 1 8 {} {0.591135561061 0.594161277858 0.742578106621} O14 67 0.0 1 14 {} {0.604052254056 0.658448399823 0.74073149593} Si42 68 0.0 1 8 {} {0.833362876037 0.176481468105 0.0410880343712} O15 69 0.0 1 1 {} {0.432147757793 0.172993753468 0.101279301368} H13 70 0.0 1 8 {} {0.583247461958 0.177891685317 0.71505732774} O16 71 0.0 1 1 {} {0.682584168449 0.174618686948 0.654902453286} H14 72 0.0 1 7 {} {0.471459548649 0.684269972696 0.633166128455} N 73 0.0 1 1 {} {0.458164701159 0.726158384251 0.640357136332} H16 74 0.0 1 9 {} {0.807813448102 0.672131346428 0.721144236266} F4 75 0.0 1 9 {} {0.391021003309 0.680037278705 0.3871335081} F5 76 0.0 1 9 {} {0.561825651393 0.681022677223 0.874833752928} F3 77 0.0 1 9 {} {0.142491262414 0.670559763209 0.537932951985} F1 78 0.0 1 9 {} {0.42066548209 0.793266969796 0.668390116849} F2 79 0.0 1 9 {} {0.578836475396 0.795833025497 0.566056140614} 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 73 72 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 72 73 {0 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 2 {1 0 0} 0 22 0 38 {0 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 78 79 {0 0 0} 0 68 63 61 {0 0 0} 0 69 55 42 {0 0 1} 0 70 38 36 {0 0 0} 0 71 30 31 {0 0 0} 0 72 26 24 {-1 0 0} 0 73 64 65 {0 0 0} 0 74 9 43 {0 0 0} 0 75 76 67 {0 0 0} 0 76 1 18 {0 0 0} 0 77 8 3 {0 0 0} 0 78 7 9 {1 0 0} 0 79 55 21 {0 0 0} 0 80 19 6 {0 0 1} 0 81 44 42 {0 0 0} 0 82 36 2 {0 0 0} 0 83 56 63 {0 0 0} 0 84 41 44 {0 0 0} 0 85 70 71 {0 0 0} 0 86 16 9 {0 0 0} 0 87 2 9 {0 0 0} 0 88 69 32 {0 0 0} 0 89 39 37 {0 0 0} 0 90 22 64 {0 0 1} 0 91 27 34 {0 0 0} 0 92 20 18 {-1 0 0} 0 93 55 36 {0 0 1} 0 94 43 14 {0 0 0} 0 95 46 4 {0 0 0} 0 96 23 30 {0 0 0} 0 97 60 37 {0 0 0} 0 98 12 5 {0 0 0} 0 99 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