#MD System 2.0 @Title neb0_image09 @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 {} {0.224274862898 0.525196846645 0.34094517563} C1 1 1 14 {} {0.277962628852 0.488127004823 0.298990092454} Si1 2 1 14 {} {0.177681806732 0.533684107754 0.260111971072} Si2 3 1 8 {} {0.290794886077 0.520895620281 0.201084788319} O1 4 1 8 {} {0.316910725484 0.509513868611 0.371006494972} O2 5 1 6 {} {0.276388914198 0.394965113892 0.292406173294} C2 6 1 6 {} {0.146188284015 0.453949257944 0.242295385925} C3 7 1 8 {} {0.202181856455 0.559951557052 0.16594330566} O3 8 1 8 {} {0.142243840279 0.594609077624 0.287274795055} O4 9 1 14 {} {0.368604305014 0.537309156051 0.374431358922} Si3 10 1 7 {} {0.402100885596 0.47209064767 0.414264159759} N1 11 1 14 {} {0.453972204512 0.470517385673 0.364140372023} Si4 12 1 14 {} {0.383278713544 0.419108342505 0.500518342668} Si5 13 1 7 {} {0.354605473818 0.457933034494 0.586621075757} N2 14 1 7 {} {0.465492509116 0.55584915774 0.358251050035} N3 15 1 1 {} {0.212795516081 0.496581252728 0.399495205683} H1 16 1 1 {} {0.232296639817 0.575984861738 0.365112611967} H2 17 1 1 {} {0.265380799153 0.541391947979 0.170574572432} H3 18 1 1 {} {0.271189222571 0.371928754606 0.358178747569} H4 19 1 1 {} {0.308083996719 0.375907416589 0.265619521879} H5 20 1 1 {} {0.249618816588 0.377964125846 0.247650503443} H6 21 1 1 {} {0.119643187913 0.460178521347 0.192272007049} H7 22 1 1 {} {0.130623138619 0.436308978385 0.304515992663} H8 23 1 1 {} {0.168523485214 0.414034354481 0.218745076193} H9 24 1 1 {} {0.183610349446 0.58269084417 0.122683692024} H10 25 1 1 {} {0.113965174619 0.582119755118 0.31334397624} H11 26 1 1 {} {0.384746628357 0.556843907146 0.28426270643} H12 27 1 1 {} {0.368935591738 0.596375238217 0.436652355147} H13 28 1 1 {} {0.482138688025 0.427330674631 0.422615771977} H14 29 1 1 {} {0.458810374486 0.445224737932 0.270658657703} H15 30 1 1 {} {0.351830252403 0.369117610128 0.460725046041} H16 31 1 1 {} {0.423598662143 0.385809796861 0.539071965756} H17 32 1 1 {} {0.323116195967 0.474679466249 0.574588397361} H18 33 1 1 {} {0.370929352031 0.488700210612 0.629707176806} H19 34 1 1 {} {0.495812812548 0.565999943208 0.325061648995} H20 35 1 1 {} {0.460696294355 0.580218668519 0.417764957464} H21 36 1 6 {} {0.64210508029 0.642871438404 0.471755863176} C4 37 1 14 {} {0.601950585335 0.579456152671 0.430714208057} Si6 38 1 14 {} {0.634592489508 0.728642810207 0.426028552376} Si7 39 1 8 {} {0.592625739393 0.586756317277 0.321939251349} O5 40 1 8 {} {0.618769517865 0.501692510385 0.447431753212} O6 41 1 6 {} {0.548173722704 0.583901782218 0.491492949976} C5 42 1 6 {} {0.585975557165 0.777403589305 0.47137070029} C6 43 1 8 {} {0.629418469071 0.716578719015 0.315894342004} O7 44 1 8 {} {0.681756773865 0.771038720559 0.441303535325} O8 45 1 14 {} {0.627114235565 0.423634549433 0.420134141466} Si8 46 1 7 {} {0.581256123982 0.37196461579 0.438466583284} N4 47 1 14 {} {0.561805818855 0.322556709081 0.349809465718} Si9 48 1 14 {} {0.556901649434 0.36836180287 0.545322332859} Si10 49 1 7 {} {0.592682981142 0.386998592619 0.631703055976} N5 50 1 7 {} {0.596729131804 0.259957621057 0.312145167352} N6 51 1 1 {} {0.633394491146 0.642286772048 0.543383137898} H22 52 1 1 {} {0.676883455493 0.625725801625 0.461051470846} H23 53 1 1 {} {0.604566605916 0.626147684121 0.293395966435} H24 54 1 1 {} {0.549068242785 0.581683755232 0.565501923147} H25 55 1 1 {} {0.534920549193 0.536791330256 0.460950806847} H26 56 1 1 {} {0.529003436094 0.627788198724 0.469637885141} H27 57 1 1 {} {0.585228469438 0.827839969116 0.441931638069} H28 58 1 1 {} {0.587998489328 0.783221664838 0.544244073825} H29 59 1 1 {} {0.553789482203 0.753566441175 0.456164454864} H30 60 1 1 {} {0.637027358285 0.753822244333 0.277648679504} H31 61 1 1 {} {0.681554337281 0.804785750192 0.487424416572} H32 62 1 1 {} {0.638211062061 0.418805968606 0.322803777832} H33 63 1 1 {} {0.666270927049 0.403260806462 0.475148754298} H34 64 1 1 {} {0.520045823814 0.290643996709 0.382607038969} H35 65 1 1 {} {0.553567230836 0.365731883608 0.270372840493} H36 66 1 1 {} {0.520298904105 0.418009877868 0.554356716659} H37 67 1 1 {} {0.539460633104 0.298971435924 0.55649951442} H38 68 1 1 {} {0.598432663519 0.435887472224 0.646976014364} H39 69 1 1 {} {0.619494868566 0.358268904133 0.64561425021} H40 70 1 1 {} {0.621345466519 0.271075179713 0.267899615108} H41 71 1 1 {} {0.60623041407 0.222080688954 0.353098093921} 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