#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 {} {0.205129952127 0.528991019448 0.309621170536} C1 1 1 14 {} {0.258968289943 0.491694982336 0.268302283595} Si1 2 1 14 {} {0.158326099619 0.537146013462 0.228896063996} Si2 3 1 8 {} {0.271463963888 0.523835574288 0.169862021378} O1 4 1 8 {} {0.299301061435 0.511916378376 0.338674076716} O2 5 1 6 {} {0.256994181914 0.398545758386 0.261488790965} C2 6 1 6 {} {0.126756442691 0.457441406288 0.211234082945} C3 7 1 8 {} {0.182602200061 0.562621329362 0.134311350491} O3 8 1 8 {} {0.123136277371 0.598204691588 0.256708480983} O4 9 1 14 {} {0.350643230064 0.541188307349 0.344430951978} Si3 10 1 7 {} {0.385453378687 0.47835949629 0.386031433592} N1 11 1 14 {} {0.439594647693 0.476017729367 0.344226922778} Si4 12 1 14 {} {0.36517709411 0.423965829125 0.468852433706} Si5 13 1 7 {} {0.335604375112 0.461197403636 0.554129836192} N2 14 1 7 {} {0.461588398435 0.555678952057 0.35023459051} N3 15 1 1 {} {0.19355198978 0.50033422155 0.368036965078} H1 16 1 1 {} {0.213166487318 0.579818784312 0.333486161121} H2 17 1 1 {} {0.246336849144 0.544928838107 0.139089780269} H3 18 1 1 {} {0.251768695136 0.375070685667 0.326944089622} H4 19 1 1 {} {0.288669817711 0.379283667878 0.234838147975} H5 20 1 1 {} {0.230235231074 0.381705948099 0.216608412142} H6 21 1 1 {} {0.100345522527 0.463948016709 0.160967252115} H7 22 1 1 {} {0.111094589912 0.439827283429 0.273374791965} H8 23 1 1 {} {0.149153551543 0.417584537137 0.187639163169} H9 24 1 1 {} {0.164074954325 0.586258463057 0.0915786512223} H10 25 1 1 {} {0.0946809575376 0.585657998184 0.282408027761} H11 26 1 1 {} {0.367044524308 0.561246394538 0.254909471585} H12 27 1 1 {} {0.349417693826 0.599796977559 0.405348120316} H13 28 1 1 {} {0.463578908978 0.423718113643 0.396771892299} H14 29 1 1 {} {0.441692073228 0.458574937135 0.247778044383} H15 30 1 1 {} {0.333790298431 0.374852923649 0.428167189395} H16 31 1 1 {} {0.404626502807 0.389471883972 0.507718901807} H17 32 1 1 {} {0.304078569634 0.477720238803 0.542561352953} H18 33 1 1 {} {0.351358995742 0.492251250935 0.597767244528} H19 34 1 1 {} {0.484776526725 0.570752073943 0.304894538656} H20 35 1 1 {} {0.467042688577 0.578419090596 0.409764307812} H21 36 1 6 {} {0.655220879145 0.637323749678 0.50257872055} C4 37 1 14 {} {0.615694178147 0.573318259263 0.455523322429} Si6 38 1 14 {} {0.652618090186 0.723930891174 0.457877122657} Si7 39 1 8 {} {0.612555620946 0.581842021918 0.345885227777} O5 40 1 8 {} {0.635800040392 0.498803923544 0.479283389338} O6 41 1 6 {} {0.558777680064 0.579398587206 0.50549042685} C5 42 1 6 {} {0.605096613863 0.774504689999 0.502877578429} C6 43 1 8 {} {0.648385744246 0.712963309013 0.347332766193} O7 44 1 8 {} {0.700116576836 0.765767151651 0.472922555806} O8 45 1 14 {} {0.646078653466 0.420835365928 0.451709643109} Si8 46 1 7 {} {0.600844663275 0.368415904098 0.469226981057} N4 47 1 14 {} {0.581367666663 0.31933297998 0.380848537056} Si9 48 1 14 {} {0.575835134775 0.364817169362 0.574934356021} Si10 49 1 7 {} {0.611552958366 0.384074929941 0.661937116882} N5 50 1 7 {} {0.615580145985 0.256334578329 0.342430072699} N6 51 1 1 {} {0.6511886172 0.63868799305 0.575644919926} H22 52 1 1 {} {0.689390125289 0.6190794461 0.489940817525} H23 53 1 1 {} {0.625403801373 0.623707381972 0.323479984649} H24 54 1 1 {} {0.55845494319 0.57002493257 0.577756844599} H25 55 1 1 {} {0.537192356331 0.541944470927 0.473562804457} H26 56 1 1 {} {0.544054292346 0.629016959845 0.493551846295} H27 57 1 1 {} {0.604350993895 0.824840518605 0.473142143919} H28 58 1 1 {} {0.607109130204 0.780137139475 0.575847551815} H29 59 1 1 {} {0.573003763369 0.75041259111 0.487735284171} H30 60 1 1 {} {0.656548093627 0.750294669786 0.309271550528} H31 61 1 1 {} {0.70059658473 0.800345455548 0.517980639153} H32 62 1 1 {} {0.657443957722 0.415703813238 0.354541900395} H33 63 1 1 {} {0.685303087632 0.400478977805 0.506515367153} H34 64 1 1 {} {0.539344654971 0.288012466645 0.413806179198} H35 65 1 1 {} {0.572958621769 0.362471585813 0.301316253726} H36 66 1 1 {} {0.5385060216 0.413833150032 0.58288743961} H37 67 1 1 {} {0.559087502273 0.295068623245 0.587832919793} H38 68 1 1 {} {0.617395769943 0.432634913957 0.677691971155} H39 69 1 1 {} {0.638183538016 0.354980991241 0.676408151905} H40 70 1 1 {} {0.640292198731 0.267544129426 0.298644007575} H41 71 1 1 {} {0.625120155213 0.218391956386 0.383734776836} 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