#MD System 2.0 @Title neb0_image04 @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 {} {0.210271554196 0.52776803676 0.318220981905} C1 1 1 14 {} {0.264191323419 0.490776306455 0.276437239805} Si1 2 1 14 {} {0.1635877865 0.536259639796 0.237228497477} Si2 3 1 8 {} {0.276782020023 0.523827098024 0.178608204401} O1 4 1 8 {} {0.304182706538 0.51105974616 0.347352447651} O2 5 1 6 {} {0.262243523279 0.397606816912 0.269395417721} C2 6 1 6 {} {0.132043006461 0.456546520498 0.219515255875} C3 7 1 8 {} {0.188088116112 0.562076606289 0.142952541472} O3 8 1 8 {} {0.128247934944 0.597350092072 0.264197098585} O4 9 1 14 {} {0.355659495816 0.540010380044 0.352503349058} Si3 10 1 7 {} {0.390372887832 0.477082017498 0.39414781686} N1 11 1 14 {} {0.444662551202 0.475364677237 0.353028432646} Si4 12 1 14 {} {0.370029301958 0.422864077739 0.476931509498} Si5 13 1 7 {} {0.340895201982 0.460665856755 0.562291397286} N2 14 1 7 {} {0.466424382759 0.555219838453 0.358808348883} N3 15 1 1 {} {0.198670060489 0.49914487135 0.376695697289} H1 16 1 1 {} {0.218124768642 0.57859210378 0.342399436661} H2 17 1 1 {} {0.251269330934 0.543992127708 0.147854248173} H3 18 1 1 {} {0.257086305715 0.374604698405 0.33521361912} H4 19 1 1 {} {0.293954765267 0.378554213963 0.242646475883} H5 20 1 1 {} {0.235470916044 0.380490324568 0.224710706304} H6 21 1 1 {} {0.105528144794 0.462734643969 0.169445957982} H7 22 1 1 {} {0.116502547298 0.438788670458 0.281698121187} H8 23 1 1 {} {0.154445166152 0.416738417269 0.195886344502} H9 24 1 1 {} {0.169583684097 0.585185034418 0.0997522066919} H10 25 1 1 {} {0.0998513730422 0.585018449417 0.290252040782} H11 26 1 1 {} {0.37205382746 0.559948399968 0.26265211051} H12 27 1 1 {} {0.354538338752 0.598810709874 0.413527488767} H13 28 1 1 {} {0.468868431225 0.423200137683 0.405795390567} H14 29 1 1 {} {0.446955249599 0.458116941438 0.256434986512} H15 30 1 1 {} {0.33855611952 0.373713035774 0.436626589927} H16 31 1 1 {} {0.409506248333 0.388609684363 0.516174374938} H17 32 1 1 {} {0.309285764201 0.477152457295 0.551372457694} H18 33 1 1 {} {0.356896291062 0.491060581644 0.606303173131} H19 34 1 1 {} {0.489633334348 0.570107907486 0.313548277262} H20 35 1 1 {} {0.472284497574 0.577390452557 0.418632689771} H21 36 1 6 {} {0.649945193929 0.638074523373 0.494432577474} C4 37 1 14 {} {0.61052649989 0.574266622325 0.446622689867} Si6 38 1 14 {} {0.647566450784 0.724705509501 0.449587449873} Si7 39 1 8 {} {0.60804475009 0.582539520645 0.336897520723} O5 40 1 8 {} {0.630174692138 0.499486776386 0.470832288778} O6 41 1 6 {} {0.553595241708 0.580487689427 0.496079915745} C5 42 1 6 {} {0.599980539709 0.775180500537 0.494297299558} C6 43 1 8 {} {0.643302180596 0.713943592012 0.339109550115} O7 44 1 8 {} {0.695155532506 0.766097060618 0.465251693755} O8 45 1 14 {} {0.640742823118 0.421607936643 0.442964217457} Si8 46 1 7 {} {0.595395757071 0.369439015052 0.461045945465} N4 47 1 14 {} {0.575844938826 0.320203354663 0.37251191231} Si9 48 1 14 {} {0.570733353117 0.366119263891 0.567559879758} Si10 49 1 7 {} {0.605943264136 0.384857333643 0.654505624629} N5 50 1 7 {} {0.610882631953 0.257516509948 0.335202412124} N6 51 1 1 {} {0.645797524388 0.639597096453 0.567501539361} H22 52 1 1 {} {0.684001316835 0.619308966324 0.481988262659} H23 53 1 1 {} {0.620447005404 0.624846201058 0.315063131193} H24 54 1 1 {} {0.553575367501 0.570485995933 0.568167021996} H25 55 1 1 {} {0.531809028487 0.543287627656 0.464249376258} H26 56 1 1 {} {0.539000217846 0.630273389923 0.484862192051} H27 57 1 1 {} {0.599222677817 0.825615827136 0.464894072677} H28 58 1 1 {} {0.602032733269 0.780690878341 0.567244450249} H29 59 1 1 {} {0.567909763674 0.751021922623 0.479112524393} H30 60 1 1 {} {0.651289399914 0.751346110476 0.301140760532} H31 61 1 1 {} {0.695529592888 0.801115476275 0.509866007425} H32 62 1 1 {} {0.652285087599 0.416567429507 0.346182371502} H33 63 1 1 {} {0.679943850819 0.401234968451 0.497740132428} H34 64 1 1 {} {0.534084037953 0.288207931616 0.405357946123} H35 65 1 1 {} {0.567677226104 0.36306054619 0.292915082884} H36 66 1 1 {} {0.533533831176 0.415489153386 0.573761603963} H37 67 1 1 {} {0.553543537959 0.296656613843 0.579215008032} H38 68 1 1 {} {0.612528458999 0.433469735725 0.669403356594} H39 69 1 1 {} {0.632973754156 0.355774950576 0.667600897465} H40 70 1 1 {} {0.635495189148 0.268575811723 0.290946271618} H41 71 1 1 {} {0.620417438711 0.21971952609 0.376454203299} 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