#MD System 2.0 @Title neb0_image03 @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 {} {0.207795665531 0.528216219443 0.314132233189} C1 1 1 14 {} {0.261522757187 0.491066302156 0.27223491632} Si1 2 1 14 {} {0.160998388965 0.536819575994 0.23308090871} Si2 3 1 8 {} {0.274376508711 0.524348113481 0.17446739789} O1 4 1 8 {} {0.301020981101 0.511155397571 0.342826512202} O2 5 1 6 {} {0.25961095858 0.397798353296 0.265212505116} C2 6 1 6 {} {0.129366499571 0.457083090552 0.215198147515} C3 7 1 8 {} {0.185442929213 0.562627262114 0.138851156802} O3 8 1 8 {} {0.125646975169 0.597703932376 0.259913669429} O4 9 1 14 {} {0.35306047775 0.540908219201 0.348427169696} Si3 10 1 7 {} {0.387647305521 0.477230396976 0.389847552897} N1 11 1 14 {} {0.442183768534 0.475919964505 0.348274951354} Si4 12 1 14 {} {0.36730928469 0.422634782176 0.473318934465} Si5 13 1 7 {} {0.338488688497 0.461315680602 0.557797439925} N2 14 1 7 {} {0.46434300003 0.555862001793 0.355003047531} N3 15 1 1 {} {0.196123063794 0.499569268039 0.372482466643} H1 16 1 1 {} {0.21561800082 0.579202510448 0.338003604262} H2 17 1 1 {} {0.248561601743 0.544231675474 0.14338232825} H3 18 1 1 {} {0.254459196709 0.375154727088 0.3311338056} H4 19 1 1 {} {0.291321484646 0.378754525446 0.238578971939} H5 20 1 1 {} {0.232893951058 0.380896876795 0.220708952761} H6 21 1 1 {} {0.102838747685 0.463287325395 0.16506544797} H7 22 1 1 {} {0.113840534407 0.439323664703 0.27747894894} H8 23 1 1 {} {0.151879800184 0.417257848559 0.191658953386} H9 24 1 1 {} {0.166988708043 0.58576483052 0.0954431147021} H10 25 1 1 {} {0.0971743573737 0.585515526813 0.286115261581} H11 26 1 1 {} {0.369526537638 0.560659810496 0.257818968637} H12 27 1 1 {} {0.351914020271 0.599188686253 0.409470190427} H13 28 1 1 {} {0.466537779528 0.423149930007 0.401981280083} H14 29 1 1 {} {0.444033045452 0.458212661181 0.251614848905} H15 30 1 1 {} {0.336049780779 0.374296258738 0.432463573276} H16 31 1 1 {} {0.406756102983 0.389364723728 0.511753472262} H17 32 1 1 {} {0.306449503594 0.477474415861 0.546944266569} H18 33 1 1 {} {0.35435005569 0.491420456458 0.601961900057} H19 34 1 1 {} {0.487269591374 0.570670694388 0.308293026282} H20 35 1 1 {} {0.469622776659 0.578312783894 0.414896433816} H21 36 1 6 {} {0.652682339792 0.637891168796 0.498769461184} C4 37 1 14 {} {0.613025092925 0.57367430814 0.450871950803} Si6 38 1 14 {} {0.6502401768 0.724377673379 0.4537850379} Si7 39 1 8 {} {0.610776928674 0.582152646548 0.341178903052} O5 40 1 8 {} {0.632856072038 0.498672365972 0.474962297974} O6 41 1 6 {} {0.55605807107 0.579691227799 0.500417602624} C5 42 1 6 {} {0.602690632251 0.774684496215 0.498460686843} C6 43 1 8 {} {0.645860094198 0.713764424836 0.343136803298} O7 44 1 8 {} {0.697722399745 0.76557853839 0.469180670477} O8 45 1 14 {} {0.643303272224 0.42104871273 0.447576065231} Si8 46 1 7 {} {0.597837963513 0.368831464421 0.464594268579} N4 47 1 14 {} {0.578553332193 0.319894018713 0.377604728035} Si9 48 1 14 {} {0.573649323414 0.365792756158 0.572953545402} Si10 49 1 7 {} {0.610254375899 0.385760472589 0.661231065094} N5 50 1 7 {} {0.612619436932 0.257710954744 0.340320247124} N6 51 1 1 {} {0.648834431731 0.639449042718 0.571911870626} H22 52 1 1 {} {0.68658621414 0.618860153348 0.486346568811} H23 53 1 1 {} {0.622958242524 0.624413136599 0.319565305344} H24 54 1 1 {} {0.556479678297 0.570057380509 0.572350512448} H25 55 1 1 {} {0.533761437661 0.542756268247 0.46937592447} H26 56 1 1 {} {0.541388804582 0.62983743037 0.489251999768} H27 57 1 1 {} {0.601870006254 0.825104294869 0.468833028314} H28 58 1 1 {} {0.604732329296 0.780213129216 0.571437386348} H29 59 1 1 {} {0.570683512478 0.750440547033 0.483085638041} H30 60 1 1 {} {0.653931191606 0.750764326922 0.305487796262} H31 61 1 1 {} {0.69811394509 0.801075877495 0.514494428222} H32 62 1 1 {} {0.655018290663 0.41605431637 0.350267668137} H33 63 1 1 {} {0.682538292631 0.400503584197 0.501818926902} H34 64 1 1 {} {0.536630980033 0.287769616756 0.409531575311} H35 65 1 1 {} {0.570191880761 0.362915080967 0.296627958776} H36 66 1 1 {} {0.536253368596 0.414624155438 0.577430101678} H37 67 1 1 {} {0.556310158133 0.296287811105 0.583053393785} H38 68 1 1 {} {0.614896268489 0.429379495142 0.672615076214} H39 69 1 1 {} {0.633883987832 0.357726097679 0.670751061557} H40 70 1 1 {} {0.638553856994 0.268246803825 0.293977830012} H41 71 1 1 {} {0.622908650173 0.218900639576 0.380714368647} 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