#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 WyckoffPosition int -1 @end @data 6 {} {0.360021102823 0.551440556852 0.413699074122} C1 1 1 14 {} {0.336762064636 0.524837585736 0.524385260044} Si1 2 1 14 {} {0.4216585196 0.562275387185 0.409292949922} Si2 3 1 8 {} {0.34985103496 0.58156442979 0.600320799953} O1 4 1 8 {} {0.281618653268 0.522994407915 0.517350154813} O2 5 1 6 {} {0.355629641235 0.43960992487 0.559034426737} C2 6 1 6 {} {0.452874989111 0.482023576756 0.394646609756} C3 7 1 8 {} {0.434594343858 0.597259036333 0.508188651287} O3 8 1 8 {} {0.4346737317 0.613682225652 0.326179507331} O4 9 1 14 {} {0.231371837845 0.527562065901 0.558558227267} Si3 10 1 7 {} {0.211646618948 0.449464188673 0.592820329278} N1 11 1 14 {} {0.189192079154 0.441201047031 0.700261387482} Si4 12 1 14 {} {0.212172537497 0.381828282345 0.517741769265} Si5 13 1 7 {} {0.206107283489 0.403153932177 0.407341309574} N2 14 1 7 {} {0.138743440703 0.480214987567 0.720395367971} N3 15 1 1 {} {0.350003801787 0.515714316086 0.361350562124} H1 16 1 1 {} {0.344401724206 0.599790429122 0.396649474781} H2 17 1 1 {} {0.379742361855 0.599975629084 0.590751601212} H3 18 1 1 {} {0.346921368964 0.401037784984 0.509718174605} H4 19 1 1 {} {0.339916034907 0.425798482274 0.622736865657} H5 20 1 1 {} {0.391987092833 0.438383544838 0.569027416646} H6 21 1 1 {} {0.488967783668 0.491638324727 0.391508002719} H7 22 1 1 {} {0.443293297261 0.457730823074 0.331620731004} H8 23 1 1 {} {0.446722929397 0.446449472624 0.449155996094} H9 24 1 1 {} {0.465358485065 0.611825374301 0.514357779108} H10 25 1 1 {} {0.46668149706 0.616259607333 0.314959634377} H11 26 1 1 {} {0.229617356609 0.571794786123 0.638822326615} H12 27 1 1 {} {0.202463296997 0.555738037253 0.486952433268} H13 28 1 1 {} {0.182494002912 0.368124879258 0.714504314094} H14 29 1 1 {} {0.220717653035 0.470393040203 0.766277651487} H15 30 1 1 {} {0.255443217142 0.345287393337 0.523522164659} H16 31 1 1 {} {0.174598231416 0.337160766624 0.544320292368} H17 32 1 1 {} {0.23311939885 0.417673810348 0.371238443018} H18 33 1 1 {} {0.178104242602 0.42641105517 0.3850986987} H19 34 1 1 {} {0.13797574709 0.529825997163 0.73539500019} H20 35 1 1 {} {0.110720125992 0.466477662238 0.686856830262} H21 36 1 6 {} {0.630792898235 0.641192629348 0.349346090835} C4 37 1 14 {} {0.587714955635 0.578662509128 0.386700150922} Si6 38 1 14 {} {0.625153003809 0.72966961195 0.38581506185} Si7 39 1 8 {} {0.537460930719 0.614445120523 0.381237753647} O5 40 1 8 {} {0.588441953517 0.514249576041 0.319665241786} O6 41 1 6 {} {0.598747875254 0.54674121301 0.501635696324} C5 42 1 6 {} {0.643335101057 0.746732078095 0.503011851463} C6 43 1 8 {} {0.570306057408 0.744497005712 0.374292874566} O7 44 1 8 {} {0.652986710181 0.779009749629 0.316002367946} O8 45 1 14 {} {0.582094549678 0.453809957389 0.246601687029} Si8 46 1 7 {} {0.594584152339 0.375757820669 0.289620029716} N4 47 1 14 {} {0.550991399278 0.319471467039 0.313269504015} Si9 48 1 14 {} {0.649181452468 0.350410211722 0.314935315932} Si10 49 1 7 {} {0.690224483906 0.396591699345 0.263837504937} N5 50 1 7 {} {0.52703113452 0.276288013326 0.22631766915} N6 51 1 1 {} {0.664211237916 0.622851283837 0.368104265826} H22 52 1 1 {} {0.63006366767 0.641990891259 0.275670068055} H23 53 1 1 {} {0.539790706951 0.663492072216 0.376440000469} H24 54 1 1 {} {0.630873611234 0.520183589251 0.50436852327} H25 55 1 1 {} {0.572649450697 0.511213228645 0.52197589501} H26 56 1 1 {} {0.599670070851 0.587267672004 0.551198888165} H27 57 1 1 {} {0.63807420431 0.799494531965 0.521204265885} H28 58 1 1 {} {0.678931109001 0.735332900079 0.512395429648} H29 59 1 1 {} {0.624352109039 0.716192962696 0.550771922364} H30 60 1 1 {} {0.559889075743 0.790356183941 0.371435525423} H31 61 1 1 {} {0.670848265203 0.814743377087 0.341081565886} H32 62 1 1 {} {0.534436379268 0.451874060324 0.21795391131} H33 63 1 1 {} {0.611330074916 0.469899141912 0.16914695798} H34 64 1 1 {} {0.570939275446 0.268688182067 0.374383479396} H35 65 1 1 {} {0.514182010602 0.357394524039 0.356491002485} H36 66 1 1 {} {0.658445994873 0.356492387124 0.41251401097} H37 67 1 1 {} {0.652967558457 0.278971929437 0.286859409753} H38 68 1 1 {} {0.703474708579 0.437400560238 0.294156075963} H39 69 1 1 {} {0.693191710442 0.399546156731 0.196454323708} H40 70 1 1 {} {0.5048833776 0.299580428616 0.185300652575} H41 71 1 1 {} {0.54450353637 0.240838677383 0.19231643979} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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