#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 {} {0.223872515328 0.525291377436 0.340299141298} C1 1 1 14 {} {0.277865956242 0.488317117271 0.2985444632} Si1 2 1 14 {} {0.177208370298 0.533749750619 0.259274038598} Si2 3 1 8 {} {0.290415806467 0.521326161274 0.200674913134} O1 4 1 8 {} {0.317833246952 0.508756367759 0.369520294953} O2 5 1 6 {} {0.275876945816 0.395114007536 0.291455549793} C2 6 1 6 {} {0.145654584962 0.454025540517 0.241547624213} C3 7 1 8 {} {0.20171653112 0.559709524797 0.165101035737} O3 8 1 8 {} {0.141860748107 0.59478892822 0.286251980802} O4 9 1 14 {} {0.36937662795 0.537286827531 0.374371890147} Si3 10 1 7 {} {0.403648534486 0.474363015763 0.417061055256} N1 11 1 14 {} {0.454951885339 0.468903336753 0.370929836696} Si4 12 1 14 {} {0.383579077994 0.420450092498 0.499137742391} Si5 13 1 7 {} {0.354584661952 0.458137332123 0.584198996653} N2 14 1 7 {} {0.468330120084 0.555329861663 0.364234654433} N3 15 1 1 {} {0.21230348034 0.496639793571 0.398760362468} H1 16 1 1 {} {0.231758066117 0.576086164445 0.364471200306} H2 17 1 1 {} {0.264899131044 0.541478940249 0.169920442636} H3 18 1 1 {} {0.270725891716 0.37210167635 0.357284261203} H4 19 1 1 {} {0.307595427677 0.376039635227 0.264736994208} H5 20 1 1 {} {0.249101727624 0.377983298781 0.246800827828} H6 21 1 1 {} {0.119146049274 0.460233283506 0.191501367381} H7 22 1 1 {} {0.130134928996 0.43628615084 0.303773962102} H8 23 1 1 {} {0.168079140677 0.414223702975 0.217958861063} H9 24 1 1 {} {0.183200214274 0.582692272469 0.121821057331} H10 25 1 1 {} {0.113473372876 0.582490817043 0.312352761876} H11 26 1 1 {} {0.385567788247 0.557453688146 0.284738744248} H12 27 1 1 {} {0.368183616171 0.596245940348 0.435556109126} H13 28 1 1 {} {0.482290679524 0.421937751805 0.426977257421} H14 29 1 1 {} {0.460717884321 0.454655243136 0.277632084282} H15 30 1 1 {} {0.352171425385 0.371156379462 0.458863003495} H16 31 1 1 {} {0.423168426713 0.386067222549 0.538224617994} H17 32 1 1 {} {0.322904178856 0.474618166117 0.573476679773} H18 33 1 1 {} {0.37050368115 0.488551752228 0.628423602371} H19 34 1 1 {} {0.500482868012 0.566833824646 0.336131887903} H20 35 1 1 {} {0.47438108107 0.576353908748 0.426475513597} H21 36 1 6 {} {0.636966444174 0.640736912454 0.472007888685} C4 37 1 14 {} {0.599209865915 0.577698830782 0.426596850422} Si6 38 1 14 {} {0.63405966787 0.727073502398 0.427647893762} Si7 39 1 8 {} {0.593709625403 0.584874650987 0.315719910421} O5 40 1 8 {} {0.616392462422 0.502234958239 0.448434041363} O6 41 1 6 {} {0.548822441158 0.587366609859 0.484985092382} C5 42 1 6 {} {0.586358108525 0.777694048532 0.472209779254} C6 43 1 8 {} {0.629659328664 0.716310854669 0.316911589289} O7 44 1 8 {} {0.68147012973 0.768632362927 0.443141091741} O8 45 1 14 {} {0.627096138939 0.4239329332 0.420789826356} Si8 46 1 7 {} {0.581869054922 0.371990666609 0.43937348334} N4 47 1 14 {} {0.562357494388 0.322342861987 0.350489655825} Si9 48 1 14 {} {0.55699069369 0.368549693023 0.545134560908} Si10 49 1 7 {} {0.592434907387 0.387328825745 0.632153181029} N5 50 1 7 {} {0.597252357084 0.260001531561 0.313098325143} N6 51 1 1 {} {0.632085514072 0.641987149014 0.545027099693} H22 52 1 1 {} {0.670719983858 0.622037593509 0.459868366063} H23 53 1 1 {} {0.606720783794 0.627348886811 0.293130335199} H24 54 1 1 {} {0.541448446978 0.573546483467 0.553611734541} H25 55 1 1 {} {0.532868234953 0.542356866988 0.454225849788} H26 56 1 1 {} {0.527163357919 0.631551705093 0.464396011014} H27 57 1 1 {} {0.585585257361 0.828123351924 0.44280129757} H28 58 1 1 {} {0.588398050624 0.78317727148 0.545169523037} H29 59 1 1 {} {0.554267843855 0.753537636666 0.457060974802} H30 60 1 1 {} {0.637655372296 0.753867697985 0.279031578442} H31 61 1 1 {} {0.681887852239 0.80364357674 0.487787999022} H32 62 1 1 {} {0.638644149606 0.419057582383 0.324040222598} H33 63 1 1 {} {0.666300757381 0.403771173164 0.475679387612} H34 64 1 1 {} {0.520486164066 0.290695638197 0.383298911345} H35 65 1 1 {} {0.554047599734 0.365615419787 0.270950416257} H36 66 1 1 {} {0.520249950929 0.41790336201 0.552753169134} H37 67 1 1 {} {0.539892926822 0.299124171962 0.557296530428} H38 68 1 1 {} {0.598896857382 0.436066497615 0.647509041446} H39 69 1 1 {} {0.619563430842 0.358107150821 0.64579798633} H40 70 1 1 {} {0.621834092459 0.271078452841 0.268912808024} H41 71 1 1 {} {0.606747826721 0.222257208303 0.354280889823} 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