#MD System 2.0 @Title neb0_image01 @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 {} {0.202514411089 0.529201318884 0.305633446676} C1 1 1 14 {} {0.256439401745 0.49219195685 0.263824313429} Si1 2 1 14 {} {0.155816047076 0.537662693225 0.224670511666} Si2 3 1 8 {} {0.269022352658 0.525301456018 0.166025051155} O1 4 1 8 {} {0.296443949349 0.512384214203 0.334714462062} O2 5 1 6 {} {0.254474941469 0.399003662471 0.256834305988} C2 6 1 6 {} {0.124264343107 0.457964812051 0.206919037561} C3 7 1 8 {} {0.180315919101 0.563431428825 0.130332727994} O3 8 1 8 {} {0.120487739057 0.5988049821 0.251671804622} O4 9 1 14 {} {0.347908887863 0.541352499343 0.339894342622} Si3 10 1 7 {} {0.382666642687 0.478519566252 0.381570708763} N1 11 1 14 {} {0.437096078967 0.476933553628 0.340714446166} Si4 12 1 14 {} {0.362282037091 0.424303239453 0.46429258041} Si5 13 1 7 {} {0.333129603609 0.462068468289 0.549715076784} N2 14 1 7 {} {0.459096524601 0.556643255454 0.346904917441} N3 15 1 1 {} {0.190888446857 0.50057851912 0.364110218645} H1 16 1 1 {} {0.210361607749 0.580045448916 0.329792142512} H2 17 1 1 {} {0.243511183348 0.545432499252 0.135255515607} H3 18 1 1 {} {0.249316756373 0.376002100145 0.322664902486} H4 19 1 1 {} {0.286191977899 0.379968060709 0.230075501058} H5 20 1 1 {} {0.227693001016 0.381921917296 0.212140979774} H6 21 1 1 {} {0.0977505630579 0.464177283156 0.156866151876} H7 22 1 1 {} {0.108730307173 0.440245198579 0.269108480435} H8 23 1 1 {} {0.14666580202 0.418156551649 0.183310053204} H9 24 1 1 {} {0.161820148306 0.586608659033 0.0871975287824} H10 25 1 1 {} {0.0920973969451 0.586433668131 0.277678675138} H11 26 1 1 {} {0.364308928209 0.561406841038 0.249997856851} H12 27 1 1 {} {0.346765967247 0.600249479789 0.400955026986} H13 28 1 1 {} {0.461087815386 0.42446311515 0.393258694896} H14 29 1 1 {} {0.439189568917 0.459602382275 0.243916943314} H15 30 1 1 {} {0.330800424684 0.375138205324 0.424037246655} H16 31 1 1 {} {0.401746318435 0.390025588326 0.503600806488} H17 32 1 1 {} {0.301509164332 0.478552795405 0.538769834922} H18 33 1 1 {} {0.349113540381 0.492491511639 0.593703676475} H19 34 1 1 {} {0.481933647691 0.571587234006 0.30088328967} H20 35 1 1 {} {0.464941054679 0.578834345653 0.406835749308} H21 36 1 6 {} {0.657678941313 0.636676535947 0.507020182791} C4 37 1 14 {} {0.6181966735 0.572802134936 0.459132683677} Si6 38 1 14 {} {0.655295205033 0.72329145438 0.462120153849} Si7 39 1 8 {} {0.615958030554 0.581059830494 0.34948375694} O5 40 1 8 {} {0.637951110148 0.498083007264 0.483459482505} O6 41 1 6 {} {0.561077148348 0.578923140833 0.508204901064} C5 42 1 6 {} {0.607737251895 0.773760061746 0.506884467266} C6 43 1 8 {} {0.651156208487 0.712491248068 0.35164696624} O7 44 1 8 {} {0.702913562395 0.764737705118 0.477781382852} O8 45 1 14 {} {0.648530562744 0.420209872559 0.455539822588} Si8 46 1 7 {} {0.603177129908 0.36802183747 0.473593073207} N4 47 1 14 {} {0.583611327158 0.318824375254 0.385090980481} Si9 48 1 14 {} {0.578498641746 0.364649352936 0.580135813138} Si10 49 1 7 {} {0.613682454425 0.383429447932 0.667074425802} N5 50 1 7 {} {0.618632269711 0.256107290247 0.347814578727} N6 51 1 1 {} {0.653572692854 0.63819660215 0.580097591195} H22 52 1 1 {} {0.691754473784 0.617918568864 0.494548045763} H23 53 1 1 {} {0.628221823245 0.623439729491 0.327611754139} H24 54 1 1 {} {0.561198099845 0.568999080599 0.580376520719} H25 55 1 1 {} {0.538991870828 0.541978456617 0.476425888384} H26 56 1 1 {} {0.546626789832 0.628878193772 0.497335847722} H27 57 1 1 {} {0.606983358538 0.824187643645 0.477491861566} H28 58 1 1 {} {0.609802256224 0.779276022304 0.579825167822} H29 59 1 1 {} {0.575673919748 0.749603966378 0.491716040926} H30 60 1 1 {} {0.659085907277 0.749939180206 0.313705860575} H31 61 1 1 {} {0.703281891129 0.799730213903 0.522490036147} H32 62 1 1 {} {0.660046037583 0.415122134234 0.358786248139} H33 63 1 1 {} {0.687704757151 0.399777602339 0.51033924928} H34 64 1 1 {} {0.541820952563 0.286807976287 0.417965799505} H35 65 1 1 {} {0.57544629075 0.361637810543 0.305519532715} H36 66 1 1 {} {0.541279612412 0.414007714839 0.586313860392} H37 67 1 1 {} {0.56132308688 0.295210827178 0.591781136886} H38 68 1 1 {} {0.620272265137 0.432022641472 0.6819478275} H39 69 1 1 {} {0.640719760393 0.354365320103 0.68017988426} H40 70 1 1 {} {0.643229909231 0.267156888549 0.303504547331} H41 71 1 1 {} {0.628163086704 0.218290584053 0.388985749025} 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