#MD System 2.0 @Title neb0_image09 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.227461172452 0.524643612582 0.347296574078} C1 1 1 14 {} {0.279075647264 0.486400951379 0.303796301297} Si1 2 1 14 {} {0.181766809299 0.533404920621 0.267265078478} Si2 3 1 8 {} {0.294814812962 0.517178914926 0.206559924848} O1 4 1 8 {} {0.312988048402 0.516438933804 0.385452566458} O2 5 1 6 {} {0.281056918882 0.393576573959 0.30067803407} C2 6 1 6 {} {0.150987839622 0.453150566872 0.249353805706} C3 7 1 8 {} {0.206901472197 0.560991880577 0.174988530159} O3 8 1 8 {} {0.14674846245 0.593081919947 0.295978134631} O4 9 1 14 {} {0.365168301647 0.529110158654 0.382712431203} Si3 10 1 7 {} {0.396960097354 0.459465002989 0.398186377139} N1 11 1 14 {} {0.434320304903 0.450159163028 0.314761878512} Si4 12 1 14 {} {0.384135367041 0.415917799748 0.506405846055} Si5 13 1 7 {} {0.357958849128 0.453206329618 0.597853760357} N2 14 1 7 {} {0.426797215265 0.56479622757 0.276655534418} N3 15 1 1 {} {0.217472036679 0.495838957524 0.406638108005} H1 16 1 1 {} {0.237450078822 0.574719534955 0.371385750843} H2 17 1 1 {} {0.269782050271 0.540849750841 0.176518600215} H3 18 1 1 {} {0.275717930759 0.370570624874 0.366374543933} H4 19 1 1 {} {0.312837782466 0.374754911944 0.27395711859} H5 20 1 1 {} {0.254455326284 0.37717278327 0.255616698153} H6 21 1 1 {} {0.12445644771 0.459564859209 0.199745460002} H7 22 1 1 {} {0.135317296421 0.436191561078 0.311926530985} H8 23 1 1 {} {0.172963185976 0.412531684604 0.226326409293} H9 24 1 1 {} {0.187481438856 0.582761237735 0.130188616724} H10 25 1 1 {} {0.118102946656 0.579117751518 0.322861015453} H11 26 1 1 {} {0.378834401944 0.553049463552 0.279447421373} H12 27 1 1 {} {0.375303663181 0.594934332607 0.444015805978} H13 28 1 1 {} {0.483129149617 0.464517640638 0.394244222658} H14 29 1 1 {} {0.447517485983 0.39153675765 0.246132283252} H15 30 1 1 {} {0.351385758396 0.356152536608 0.478081549591} H16 31 1 1 {} {0.42705749303 0.384367186174 0.546310261606} H17 32 1 1 {} {0.326441991739 0.475356794545 0.585618591448} H18 33 1 1 {} {0.374611883054 0.489141677894 0.639557070385} H19 34 1 1 {} {0.458094178256 0.56737990374 0.279454070589} H20 35 1 1 {} {0.359793968019 0.61370092592 0.3199593266} H21 36 1 6 {} {0.667408142577 0.648134541062 0.466309659905} C4 37 1 14 {} {0.61557730988 0.583732177055 0.455662866299} Si6 38 1 14 {} {0.638316597819 0.734002426615 0.416089083381} Si7 39 1 8 {} {0.580524249943 0.591816790489 0.36246370109} O5 40 1 8 {} {0.631356722302 0.509303668085 0.440272095879} O6 41 1 6 {} {0.576883296627 0.575392850497 0.545980885887} C5 42 1 6 {} {0.582794137621 0.775659052808 0.463177283006} C6 43 1 8 {} {0.626657386314 0.719049470986 0.308113710231} O7 44 1 8 {} {0.681345044734 0.789594139113 0.42431152664} O8 45 1 14 {} {0.626049070238 0.421590454367 0.412719460376} Si8 46 1 7 {} {0.577212065036 0.374132029611 0.43298891257} N4 47 1 14 {} {0.557582298407 0.32275291301 0.343471017309} Si9 48 1 14 {} {0.554112260372 0.367659035341 0.541095170612} Si10 49 1 7 {} {0.590386891193 0.386529348157 0.624109115942} N5 50 1 7 {} {0.591750301261 0.260698577086 0.303150180036} N6 51 1 1 {} {0.645540464084 0.647976617562 0.531808131226} H22 52 1 1 {} {0.709793361996 0.652866445877 0.469363102283} H23 53 1 1 {} {0.591248052199 0.625283210256 0.292648625111} H24 54 1 1 {} {0.594794678454 0.62723147019 0.636086860405} H25 55 1 1 {} {0.577378330966 0.503419903204 0.547299836453} H26 56 1 1 {} {0.540664470873 0.596781802839 0.504885823628} H27 57 1 1 {} {0.581285595809 0.826754007312 0.433426202388} H28 58 1 1 {} {0.58402624653 0.783530027394 0.536021910796} H29 59 1 1 {} {0.549674081937 0.753309886551 0.447501270051} H30 60 1 1 {} {0.631654563721 0.755673856747 0.263499391629} H31 61 1 1 {} {0.678471860137 0.814548476282 0.483776161709} H32 62 1 1 {} {0.63387987621 0.416366862482 0.312727640262} H33 63 1 1 {} {0.664684070019 0.398180320142 0.468640351331} H34 64 1 1 {} {0.515443700405 0.290427730936 0.375644888811} H35 65 1 1 {} {0.548801141523 0.367125545748 0.263576646079} H36 66 1 1 {} {0.519598083696 0.418498406553 0.563303864064} H37 67 1 1 {} {0.535381020036 0.2981281141 0.549561112032} H38 68 1 1 {} {0.594319882099 0.435338545453 0.642026118647} H39 69 1 1 {} {0.620479390446 0.357283676845 0.643673122952} H40 70 1 1 {} {0.616159637792 0.271290988977 0.259542234944} H41 71 1 1 {} {0.601095824601 0.221506005054 0.342575807586} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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