#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 {} {0.847974231163 0.306746897154 0.0634147246696} Si1 1 0.0 1 14 {} {0.848010893778 0.385107979456 0.444820365121} Si2 2 0.0 1 14 {} {0.097801706409 0.306765070841 0.193345443916} Si3 3 0.0 1 14 {} {0.0978503671298 0.383051854515 0.318112895893} Si4 4 0.0 1 14 {} {0.853509988598 0.540664065414 0.435170149733} Si5 5 0.0 1 14 {} {0.102816976263 0.537065261774 0.308571307539} Si6 6 0.0 1 14 {} {0.850062876331 0.45822469122 0.0646758060871} Si7 7 0.0 1 14 {} {0.844397638969 0.228887043122 0.442002597294} Si8 8 0.0 1 14 {} {0.098923573641 0.458191341414 0.193106075748} Si9 9 0.0 1 14 {} {0.0944235054859 0.228223130019 0.314252585587} Si10 10 0.0 1 8 {} {0.361685209003 0.592938857608 0.517950052903} O1 11 0.0 1 14 {} {0.344748721814 0.656950753054 0.521380666529} Si11 12 0.0 1 8 {} {0.111225764494 0.589575163078 0.213126950505} O2 13 0.0 1 1 {} {0.011518828052 0.593117130073 0.152774330106} H1 14 0.0 1 8 {} {0.333690062206 0.177700221196 0.541543802718} O3 15 0.0 1 1 {} {0.932881456012 0.174500970433 0.601862537378} H2 16 0.0 1 8 {} {0.0834593459095 0.176580842218 0.216013959351} O4 17 0.0 1 1 {} {0.18243827696 0.173110279889 0.155800365418} H3 18 0.0 1 14 {} {0.847924342768 0.307370366654 0.564245216755} Si12 19 0.0 1 14 {} {0.849187924594 0.38320209281 0.939094962564} Si13 20 0.0 1 14 {} {0.0981337085158 0.307509831326 0.693174833552} Si14 21 0.0 1 14 {} {0.0989611658669 0.385386814394 0.812053580729} Si15 22 0.0 1 14 {} {0.85029105106 0.536929409661 0.949055429076} Si16 23 0.0 1 14 {} {0.098953780942 0.540688593521 0.82269457621} Si17 24 0.0 1 14 {} {0.849660073257 0.463857426297 0.563127103276} Si18 25 0.0 1 14 {} {0.84435059531 0.228134602254 0.942663308157} Si19 26 0.0 1 14 {} {0.0986469511587 0.464061251689 0.69328080217} Si20 27 0.0 1 14 {} {0.0943949464524 0.228911114269 0.814909570236} Si21 28 0.0 1 8 {} {0.360962485839 0.588622846345 0.0462646445297} O5 29 0.0 1 1 {} {0.261384299141 0.593253871935 0.10624014487} H4 30 0.0 1 8 {} {0.111197755328 0.596276168914 0.742849574834} O6 31 0.0 1 1 {} {0.0137881754185 0.62145212301 0.740988990877} H5 32 0.0 1 8 {} {0.333415492776 0.176451413736 0.0410414382851} O7 33 0.0 1 1 {} {0.932540190092 0.173168679204 0.101297574402} H6 34 0.0 1 8 {} {0.0836609047972 0.177883373091 0.714953364212} O8 35 0.0 1 1 {} {0.182992461232 0.174536127018 0.654849010674} H7 36 0.0 1 14 {} {0.347752495508 0.306646470247 0.0635070861088} Si22 37 0.0 1 14 {} {0.348295981484 0.384917995786 0.444404923694} Si23 38 0.0 1 14 {} {0.59785694144 0.30666326093 0.193169067912} Si24 39 0.0 1 14 {} {0.598414558342 0.382997961899 0.317684535678} Si25 40 0.0 1 14 {} {0.355159669464 0.53882903036 0.432800074649} Si26 41 0.0 1 14 {} {0.605670746794 0.536858808199 0.307133194739} Si27 42 0.0 1 14 {} {0.348661058077 0.457817985107 0.0658924861998} Si28 43 0.0 1 14 {} {0.344559403524 0.228844112215 0.441952486391} Si29 44 0.0 1 14 {} {0.600309152111 0.458000107761 0.191924878727} Si30 45 0.0 1 14 {} {0.594485001435 0.228154203224 0.314093686474} Si31 46 0.0 1 8 {} {0.843062907359 0.595653074719 0.517704409461} O9 47 0.0 1 1 {} {0.939541518699 0.621006028671 0.517490967553} H8 48 0.0 1 8 {} {0.613660304892 0.588984368901 0.210915817776} O10 49 0.0 1 1 {} {0.512398413001 0.592956596393 0.151876247718} H9 50 0.0 1 8 {} {0.833573744976 0.177776621214 0.541701190712} O11 51 0.0 1 1 {} {0.432923425207 0.174399854823 0.601737643982} H10 52 0.0 1 8 {} {0.58356271356 0.176462848875 0.215964319156} O12 53 0.0 1 1 {} {0.682517555461 0.173052026648 0.155717971832} H11 54 0.0 1 14 {} {0.348078248904 0.307314614101 0.564132222144} Si32 55 0.0 1 14 {} {0.348485295259 0.383058952142 0.939348180633} Si33 56 0.0 1 14 {} {0.597990888015 0.307409600663 0.693289999967} Si34 57 0.0 1 14 {} {0.598821218078 0.385132881606 0.812703535242} Si35 58 0.0 1 14 {} {0.347857152223 0.536484027942 0.950437758917} Si36 59 0.0 1 14 {} {0.597496004487 0.538602386401 0.824978887843} Si37 60 0.0 1 14 {} {0.349004546107 0.463224874541 0.563881798403} Si38 61 0.0 1 14 {} {0.344239803662 0.228083697734 0.942778760928} Si39 62 0.0 1 14 {} {0.599503200051 0.463405315957 0.692802285322} Si40 63 0.0 1 14 {} {0.594310479413 0.228884649488 0.815024525782} Si41 64 0.0 1 8 {} {0.861796403509 0.589421298514 0.0442635014215} O13 65 0.0 1 1 {} {0.761794955287 0.593330703579 0.104546155179} H12 66 0.0 1 8 {} {0.592013917683 0.593579585744 0.74317228752} O14 67 0.0 1 14 {} {0.602954800476 0.657715436343 0.741389629307} Si42 68 0.0 1 8 {} {0.833607904316 0.176531544282 0.0410018500794} O15 69 0.0 1 1 {} {0.432413008143 0.173045623647 0.101264363453} H13 70 0.0 1 8 {} {0.583604273392 0.177878253995 0.715033891987} O16 71 0.0 1 1 {} {0.682952221419 0.174588090664 0.654913193139} H14 72 0.0 1 7 {} {0.467341697192 0.683696260922 0.634733832823} N 73 0.0 1 1 {} {0.457008600251 0.724649324043 0.64060699822} H16 74 0.0 1 9 {} {0.806460978998 0.672032483735 0.720872356442} F4 75 0.0 1 9 {} {0.39133341717 0.680384110611 0.388283749015} F5 76 0.0 1 9 {} {0.562128070372 0.680874474095 0.875623079684} F3 77 0.0 1 9 {} {0.139306014732 0.670154428911 0.535647771361} F1 78 0.0 1 9 {} {0.425369852108 0.793616809005 0.664760634877} F2 79 0.0 1 9 {} {0.579898429296 0.796215882457 0.562380319528} 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