#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 WyckoffPosition int -1 @end @data 6 {} {0.202788727979 0.52915073925 0.305245378342} C1 1 1 14 {} {0.256445311856 0.491649597272 0.263397508347} Si1 2 1 14 {} {0.155968898627 0.537588726098 0.224662595076} Si2 3 1 8 {} {0.268901264542 0.524193248421 0.165109510661} O1 4 1 8 {} {0.296615322308 0.511986127607 0.333908209725} O2 5 1 6 {} {0.254312498105 0.398487658205 0.256941303228} C2 6 1 6 {} {0.124106744366 0.458043823631 0.206961912307} C3 7 1 8 {} {0.180105621943 0.563403678236 0.129977440111} O3 8 1 8 {} {0.120556321167 0.598601349632 0.252607611719} O4 9 1 14 {} {0.348028097873 0.541431713657 0.339757892895} Si3 10 1 7 {} {0.3828306504 0.478589894749 0.381972471886} N1 11 1 14 {} {0.437256119681 0.476786201278 0.340941261734} Si4 12 1 14 {} {0.362349136408 0.424088857198 0.464444603049} Si5 13 1 7 {} {0.333030535786 0.461761850574 0.549491998116} N2 14 1 7 {} {0.459637778622 0.556376517241 0.347015192405} N3 15 1 1 {} {0.191017056593 0.500865169249 0.363916545393} H1 16 1 1 {} {0.210594736214 0.580151913953 0.328957481385} H2 17 1 1 {} {0.243510605173 0.545108288715 0.13488808318} H3 18 1 1 {} {0.249075225123 0.375638210214 0.322758515822} H4 19 1 1 {} {0.285986360549 0.379353525774 0.230262038051} H5 20 1 1 {} {0.227528171498 0.381623784035 0.212243252214} H6 21 1 1 {} {0.0976207044219 0.46454316047 0.156812664445} H7 22 1 1 {} {0.108462616206 0.440566293465 0.269222549084} H8 23 1 1 {} {0.14635433771 0.417959130774 0.183430453536} H9 24 1 1 {} {0.16161395429 0.586803864567 0.087234111175} H10 25 1 1 {} {0.0922665651054 0.585942391351 0.277869761771} H11 26 1 1 {} {0.364659061269 0.56166500772 0.250106393321} H12 27 1 1 {} {0.346512739001 0.600164082369 0.401020237821} H13 28 1 1 {} {0.461072173177 0.423928905218 0.393185977534} H14 29 1 1 {} {0.439198968777 0.459613882204 0.243893831169} H15 30 1 1 {} {0.331049485802 0.375212166414 0.423582601183} H16 31 1 1 {} {0.40177346826 0.390008762974 0.503410193216} H17 32 1 1 {} {0.301309959004 0.477893760425 0.538162811542} H18 33 1 1 {} {0.348703587356 0.492524818329 0.593274169576} H19 34 1 1 {} {0.482227958299 0.571308327665 0.300898494167} H20 35 1 1 {} {0.465391145869 0.578728483532 0.407359369799} H21 36 1 6 {} {0.657732267338 0.637251581907 0.507113026823} C4 37 1 14 {} {0.618255421984 0.573010999743 0.459775295182} Si6 38 1 14 {} {0.655369234774 0.723770108782 0.461776803872} Si7 39 1 8 {} {0.615895688036 0.581020250678 0.350085859813} O5 40 1 8 {} {0.638292437232 0.4983573915 0.48431909757} O6 41 1 6 {} {0.561065553024 0.57884039 0.50870681847} C5 42 1 6 {} {0.607668087811 0.774108828915 0.506381235412} C6 43 1 8 {} {0.65183814797 0.712396997008 0.351422966383} O7 44 1 8 {} {0.702699390327 0.765718660529 0.477642453992} O8 45 1 14 {} {0.648627064171 0.420410823582 0.45604314543} Si8 46 1 7 {} {0.603217095438 0.3684240438 0.474024544813} N4 47 1 14 {} {0.58352737488 0.319233977261 0.385252572789} Si9 48 1 14 {} {0.57842950007 0.364228179091 0.579769105762} Si10 49 1 7 {} {0.613578633763 0.383512815619 0.667344798044} N5 50 1 7 {} {0.61824256072 0.256372360418 0.347606717296} N6 51 1 1 {} {0.653866490219 0.638808618725 0.58024004336} H22 52 1 1 {} {0.691789351243 0.618517546577 0.494268608773} H23 53 1 1 {} {0.628354370849 0.623187010244 0.327879489112} H24 54 1 1 {} {0.561014977491 0.569267634809 0.580964306034} H25 55 1 1 {} {0.539134336803 0.541633392066 0.477038688704} H26 56 1 1 {} {0.546469028328 0.628632477464 0.497292431624} H27 57 1 1 {} {0.606822980889 0.8246343399 0.477154161968} H28 58 1 1 {} {0.609993952496 0.779521786402 0.579388459031} H29 59 1 1 {} {0.575520808626 0.749938584988 0.491665191199} H30 60 1 1 {} {0.659575449888 0.74993822473 0.313398211632} H31 61 1 1 {} {0.703077523856 0.800270381331 0.52317910717} H32 62 1 1 {} {0.66019766788 0.415473705333 0.359419669215} H33 63 1 1 {} {0.687700491403 0.399795260275 0.510934539423} H34 64 1 1 {} {0.541688474353 0.287582491438 0.418130609189} H35 65 1 1 {} {0.575412718006 0.362223118114 0.305522068733} H36 66 1 1 {} {0.540894724142 0.41295209717 0.586634101464} H37 67 1 1 {} {0.561810670761 0.294502383678 0.591667617689} H38 68 1 1 {} {0.620010911934 0.432053613309 0.681596094447} H39 69 1 1 {} {0.640626699087 0.354636352701 0.680516783762} H40 70 1 1 {} {0.642807096943 0.267238028385 0.302632191123} H41 71 1 1 {} {0.627608772218 0.218094719118 0.388096977739} 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