#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 {} {0.205346401271 0.529056094357 0.309493503279} C1 1 1 14 {} {0.259199819857 0.491418993996 0.268358591569} Si1 2 1 14 {} {0.158412075666 0.537197710065 0.229033997765} Si2 3 1 8 {} {0.271501187989 0.523167750944 0.16907852015} O1 4 1 8 {} {0.299011041985 0.511815917378 0.338367867921} O2 5 1 6 {} {0.256874696819 0.398170225634 0.261970808327} C2 6 1 6 {} {0.126695734521 0.457536541025 0.211397882477} C3 7 1 8 {} {0.182393659174 0.562388632836 0.134253937925} O3 8 1 8 {} {0.123244601599 0.598041722341 0.257406956533} O4 9 1 14 {} {0.350892883317 0.541433310266 0.344732436361} Si3 10 1 7 {} {0.385637839286 0.47854693963 0.386342899846} N1 11 1 14 {} {0.439643941768 0.47598356615 0.343817301658} Si4 12 1 14 {} {0.365346848349 0.424130871872 0.469234134224} Si5 13 1 7 {} {0.335438967993 0.46095376864 0.554146263899} N2 14 1 7 {} {0.4615682784 0.555622850996 0.349940040934} N3 15 1 1 {} {0.193605498657 0.500753675576 0.368028337771} H1 16 1 1 {} {0.213218674045 0.579978972991 0.333148855628} H2 17 1 1 {} {0.246506287869 0.544737372721 0.139021109482} H3 18 1 1 {} {0.25156779967 0.374721642706 0.327494014383} H4 19 1 1 {} {0.288663287001 0.379207530219 0.235134704326} H5 20 1 1 {} {0.230148913508 0.381897450121 0.216714288295} H6 21 1 1 {} {0.100378171578 0.464063673674 0.161017907061} H7 22 1 1 {} {0.1108840371 0.439848050653 0.273348201291} H8 23 1 1 {} {0.148981178406 0.417521220833 0.187823942811} H9 24 1 1 {} {0.163709607982 0.586475607305 0.0915407401749} H10 25 1 1 {} {0.0946299006958 0.585355018769 0.282945685165} H11 26 1 1 {} {0.367272508617 0.561596738759 0.255254286694} H12 27 1 1 {} {0.349432133794 0.599914632913 0.405764100551} H13 28 1 1 {} {0.463566945826 0.423186769218 0.396338505837} H14 29 1 1 {} {0.441561936778 0.458031936776 0.247364618011} H15 30 1 1 {} {0.334031770661 0.374745358896 0.42792265924} H16 31 1 1 {} {0.40488370349 0.389523116636 0.507721134082} H17 32 1 1 {} {0.304125203922 0.477185354944 0.542053378448} H18 33 1 1 {} {0.351199798679 0.492560752972 0.597935340378} H19 34 1 1 {} {0.485200506418 0.570324881705 0.303993595231} H20 35 1 1 {} {0.466559716703 0.578289512754 0.409037550242} H21 36 1 6 {} {0.655454109794 0.637670222492 0.502473004495} C4 37 1 14 {} {0.615722831158 0.573763067138 0.45598751462} Si6 38 1 14 {} {0.652548853609 0.724323200085 0.457720205605} Si7 39 1 8 {} {0.611938428586 0.582085977094 0.34658000277} O5 40 1 8 {} {0.636154677156 0.498867125273 0.479481198009} O6 41 1 6 {} {0.558991628263 0.579232084636 0.506589414504} C5 42 1 6 {} {0.604988893907 0.774704710562 0.502848910672} C6 43 1 8 {} {0.648259815047 0.712897360927 0.347281383461} O7 44 1 8 {} {0.700029758681 0.766500023237 0.47256632745} O8 45 1 14 {} {0.645929821511 0.42070177126 0.451279855148} Si8 46 1 7 {} {0.601083117607 0.36905797131 0.471120040463} N4 47 1 14 {} {0.581597187018 0.31864775984 0.379969628692} Si9 48 1 14 {} {0.574751427723 0.363759091127 0.570855246804} Si10 49 1 7 {} {0.614233829299 0.385073421927 0.664750177812} N5 50 1 7 {} {0.614679910241 0.257212174961 0.341163451738} N6 51 1 1 {} {0.651377264664 0.638803556159 0.575601049621} H22 52 1 1 {} {0.689579486613 0.619632566937 0.489465739533} H23 53 1 1 {} {0.625111533116 0.623407613884 0.323705652609} H24 54 1 1 {} {0.558445456274 0.570496126339 0.578837705256} H25 55 1 1 {} {0.537604591489 0.541425193365 0.474826353977} H26 56 1 1 {} {0.544038044309 0.628720708253 0.49386644037} H27 57 1 1 {} {0.604336246383 0.825033941326 0.473140214869} H28 58 1 1 {} {0.607081952268 0.780503184339 0.575751167096} H29 59 1 1 {} {0.572810519387 0.750629337433 0.487929070145} H30 60 1 1 {} {0.656621503879 0.750251609265 0.309023072461} H31 61 1 1 {} {0.70047194731 0.800322537063 0.517510460875} H32 62 1 1 {} {0.657542561397 0.415865782151 0.354786840737} H33 63 1 1 {} {0.685605866219 0.40060566427 0.506957750473} H34 64 1 1 {} {0.539201158485 0.288479764843 0.414050710264} H35 65 1 1 {} {0.573057834615 0.363000887895 0.300935219641} H36 66 1 1 {} {0.538534640065 0.41293424211 0.583245512803} H37 67 1 1 {} {0.559510265444 0.294903048201 0.587863269138} H38 68 1 1 {} {0.616812086142 0.431822267013 0.677273943405} H39 69 1 1 {} {0.637235129331 0.355832047568 0.676096564459} H40 70 1 1 {} {0.640088439216 0.267274905685 0.297972799972} H41 71 1 1 {} {0.624911553289 0.217477764458 0.383124237007} 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