#MD System 2.0 @Title neb0_image07 @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 {} {0.218363927062 0.526299916889 0.331325747067} C1 1 1 14 {} {0.272300070829 0.489334041451 0.289599773822} Si1 2 1 14 {} {0.171685768778 0.534760857916 0.250322962321} Si2 3 1 8 {} {0.284853070134 0.522221980998 0.191651816348} O1 4 1 8 {} {0.31222254893 0.509728139059 0.360411241013} O2 5 1 6 {} {0.270356499807 0.396136583907 0.282547149379} C2 6 1 6 {} {0.140149475371 0.455055775297 0.232623628857} C3 7 1 8 {} {0.196183054335 0.56077908928 0.156107795488} O3 8 1 8 {} {0.136325593646 0.595796667174 0.277433931863} O4 9 1 14 {} {0.36370784339 0.538641249358 0.365413945148} Si3 10 1 7 {} {0.397734306235 0.47515797398 0.407662318852} N1 11 1 14 {} {0.451425094055 0.472776088459 0.363810532409} Si4 12 1 14 {} {0.377958454233 0.421174567123 0.490437031537} Si5 13 1 7 {} {0.348920251801 0.459122644552 0.575677920289} N2 14 1 7 {} {0.469069205961 0.555082940417 0.363644137222} N3 15 1 1 {} {0.206772097451 0.49765962104 0.389802976052} H1 16 1 1 {} {0.226256571016 0.577127688111 0.355491237386} H2 17 1 1 {} {0.259399417444 0.542494096093 0.160933185808} H3 18 1 1 {} {0.26519279354 0.373081085183 0.348320271276} H4 19 1 1 {} {0.302064559516 0.377036109944 0.255808939958} H5 20 1 1 {} {0.243580005138 0.379029518268 0.237859275426} H6 21 1 1 {} {0.113637840378 0.46126709354 0.182571518951} H7 22 1 1 {} {0.124605919044 0.437335813831 0.294819134191} H8 23 1 1 {} {0.16254906372 0.415238723263 0.209027395594} H9 24 1 1 {} {0.177651948688 0.583724671978 0.112862391937} H10 25 1 1 {} {0.107939084348 0.583451063365 0.30343608116} H11 26 1 1 {} {0.380106153576 0.558450391998 0.275758197161} H12 27 1 1 {} {0.362696313687 0.597249859797 0.426622702443} H13 28 1 1 {} {0.476954335196 0.422810763111 0.418194894269} H14 29 1 1 {} {0.454968888939 0.455257787792 0.267683233048} H15 30 1 1 {} {0.346687798123 0.372226645173 0.449785190575} H16 31 1 1 {} {0.417614920349 0.387171316952 0.529128520239} H17 32 1 1 {} {0.317322344224 0.475692025973 0.56443002093} H18 33 1 1 {} {0.364980533047 0.489625542308 0.619484374047} H19 34 1 1 {} {0.496458526484 0.56778201686 0.325905344575} H20 35 1 1 {} {0.473997579416 0.576641416732 0.424222263548} H21 36 1 6 {} {0.642645515576 0.63999304734 0.481226715787} C4 37 1 14 {} {0.604135042105 0.576423868498 0.434375309394} Si6 38 1 14 {} {0.639503199482 0.726288182788 0.436343944651} Si7 39 1 8 {} {0.599343836279 0.584319444882 0.32491769118} O5 40 1 8 {} {0.62224384797 0.500832169547 0.45759779825} O6 41 1 6 {} {0.548875248458 0.583628534213 0.488667287215} C5 42 1 6 {} {0.591894278049 0.776631024308 0.481220605676} C6 43 1 8 {} {0.635120804041 0.715365574435 0.325956929583} O7 44 1 8 {} {0.687055606171 0.767665473089 0.452056109463} O8 45 1 14 {} {0.632696731143 0.422963184407 0.42989100201} Si8 46 1 7 {} {0.587293421276 0.37080314754 0.447691791868} N4 47 1 14 {} {0.567824666727 0.321661630767 0.359434482522} Si9 48 1 14 {} {0.562678171906 0.367537049507 0.554664825606} Si10 49 1 7 {} {0.598037374975 0.386351232761 0.640919992809} N5 50 1 7 {} {0.602686643062 0.258764877825 0.321767774386} N6 51 1 1 {} {0.637711599719 0.64099877747 0.554082362087} H22 52 1 1 {} {0.676456026826 0.621099049056 0.468893895384} H23 53 1 1 {} {0.612152501344 0.626064826603 0.302152841963} H24 54 1 1 {} {0.547039419778 0.572994064212 0.560431389731} H25 55 1 1 {} {0.530609858111 0.542609936801 0.457174732883} H26 56 1 1 {} {0.531983433761 0.631020371205 0.47306339118} H27 57 1 1 {} {0.591131808402 0.827057141168 0.451769010316} H28 58 1 1 {} {0.593926200436 0.782197988059 0.554166258789} H29 59 1 1 {} {0.559809486457 0.75256660293 0.466023728303} H30 60 1 1 {} {0.643167724793 0.752767672212 0.288021302222} H31 61 1 1 {} {0.687425906032 0.802667206441 0.496747990152} H32 62 1 1 {} {0.64415466236 0.418110704582 0.333121956801} H33 63 1 1 {} {0.671850217408 0.402852557791 0.484648602191} H34 64 1 1 {} {0.52608200724 0.28976934672 0.392318237781} H35 65 1 1 {} {0.559615040367 0.364486940423 0.280137281541} H36 66 1 1 {} {0.525470660884 0.417070365571 0.561365644631} H37 67 1 1 {} {0.545432658292 0.298085426576 0.566239647397} H38 68 1 1 {} {0.604369424244 0.43472840981 0.65636154856} H39 69 1 1 {} {0.624841390769 0.357337160009 0.654557320175} H40 70 1 1 {} {0.627419550822 0.270101661738 0.277698712514} H41 71 1 1 {} {0.612302032377 0.221066523085 0.363282931118} 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