#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 {} {0.20532136016 0.528990838805 0.309417402615} C1 1 1 14 {} {0.259395683776 0.491511937496 0.268386991796} Si1 2 1 14 {} {0.158366361437 0.537027111575 0.229000218937} Si2 3 1 8 {} {0.271593907284 0.523004258852 0.169561914994} O1 4 1 8 {} {0.299108196096 0.511974389185 0.3382899383} O2 5 1 6 {} {0.256906159028 0.398338434316 0.261898693116} C2 6 1 6 {} {0.126697185439 0.457475767777 0.211430435391} C3 7 1 8 {} {0.182406561204 0.562782955137 0.13413363862} O3 8 1 8 {} {0.123188241691 0.598124433637 0.257493355692} O4 9 1 14 {} {0.350864882474 0.540961954147 0.344647253646} Si3 10 1 7 {} {0.385465580193 0.478448613953 0.386449836691} N1 11 1 14 {} {0.439613612521 0.476033484257 0.344310489216} Si4 12 1 14 {} {0.365255642355 0.424076948456 0.468431639822} Si5 13 1 7 {} {0.335754593898 0.461123743148 0.554289305768} N2 14 1 7 {} {0.461774782171 0.555378156493 0.34929425468} N3 15 1 1 {} {0.193698950974 0.50078724539 0.368222199051} H1 16 1 1 {} {0.213252409207 0.579926561884 0.333197729329} H2 17 1 1 {} {0.246430147287 0.544619193925 0.139076598738} H3 18 1 1 {} {0.25157486547 0.374889709891 0.32738287389} H4 19 1 1 {} {0.288638240879 0.379084473201 0.235147200242} H5 20 1 1 {} {0.230211279649 0.38165754742 0.216814239689} H6 21 1 1 {} {0.100426320174 0.464069985736 0.161131724138} H7 22 1 1 {} {0.110921410768 0.43985770117 0.273387545438} H8 23 1 1 {} {0.14900640288 0.417542507646 0.187905495806} H9 24 1 1 {} {0.163829606517 0.586321418223 0.0918081499114} H10 25 1 1 {} {0.0947608280207 0.585370410013 0.282863789204} H11 26 1 1 {} {0.367295119109 0.561612207513 0.255204507838} H12 27 1 1 {} {0.349376496504 0.59997859299 0.405971597042} H13 28 1 1 {} {0.463642488436 0.423319989343 0.39628960804} H14 29 1 1 {} {0.441517191519 0.458053242028 0.247326347166} H15 30 1 1 {} {0.334094441618 0.374767475683 0.428111298875} H16 31 1 1 {} {0.404904675633 0.389609241542 0.507986848503} H17 32 1 1 {} {0.304028583361 0.477207932846 0.542106835343} H18 33 1 1 {} {0.351146939558 0.492404060498 0.597822342972} H19 34 1 1 {} {0.4850940998 0.570284195548 0.304531288809} H20 35 1 1 {} {0.466673550033 0.578436552471 0.409114242114} H21 36 1 6 {} {0.655371956738 0.63745771624 0.502501814669} C4 37 1 14 {} {0.615678902343 0.573846768361 0.455836613464} Si6 38 1 14 {} {0.652526834166 0.724360552211 0.457521494064} Si7 39 1 8 {} {0.612018151164 0.582135504858 0.346683539217} O5 40 1 8 {} {0.636008355498 0.49883395304 0.479583837038} O6 41 1 6 {} {0.558963199088 0.579207748213 0.506425609301} C5 42 1 6 {} {0.604977847682 0.774709473505 0.50266856638} C6 43 1 8 {} {0.648227374681 0.713173509409 0.347214146746} O7 44 1 8 {} {0.69998331033 0.766155948159 0.472132129802} O8 45 1 14 {} {0.646357146957 0.420729676842 0.450794376047} Si8 46 1 7 {} {0.601103557021 0.36896326563 0.470162417477} N4 47 1 14 {} {0.580773691824 0.319498515069 0.37907447328} Si9 48 1 14 {} {0.576024886558 0.364020679254 0.574932433552} Si10 49 1 7 {} {0.611526972633 0.384408983784 0.661467013951} N5 50 1 7 {} {0.615114201029 0.256147479497 0.342103614886} N6 51 1 1 {} {0.651471109586 0.638978183566 0.575753795048} H22 52 1 1 {} {0.689530822768 0.61956832291 0.489470977833} H23 53 1 1 {} {0.624991846448 0.623365748644 0.323808685537} H24 54 1 1 {} {0.558647198754 0.570417710946 0.57873006875} H25 55 1 1 {} {0.537403108535 0.541378311911 0.474898163715} H26 56 1 1 {} {0.543989295691 0.628764197583 0.493751573436} H27 57 1 1 {} {0.60425941317 0.825068274026 0.47309518215} H28 58 1 1 {} {0.6071141959 0.780455139399 0.575607480129} H29 59 1 1 {} {0.572802510505 0.750638079316 0.487850523186} H30 60 1 1 {} {0.656557022748 0.750106448423 0.309118184961} H31 61 1 1 {} {0.700489751774 0.80074346463 0.517965299135} H32 62 1 1 {} {0.657514553046 0.415860942137 0.355348526704} H33 63 1 1 {} {0.685371240809 0.400625182112 0.506552708222} H34 64 1 1 {} {0.539320922994 0.288490618535 0.413877870011} H35 65 1 1 {} {0.573120382185 0.362683411787 0.301545891271} H36 66 1 1 {} {0.538372417674 0.413104898428 0.582795658506} H37 67 1 1 {} {0.559494000595 0.294948330354 0.587553717222} H38 68 1 1 {} {0.61717654779 0.432919939294 0.67783847733} H39 69 1 1 {} {0.638419122536 0.354990032279 0.676665741219} H40 70 1 1 {} {0.640109256217 0.26738171773 0.29765706106} H41 71 1 1 {} {0.624630021535 0.21811091185 0.382382788265} 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