#MD System 2.0 @Title neb0_image03 @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 {} {0.352988110608 0.550233640479 0.422164587542} C1 1 1 14 {} {0.333924018122 0.517224607542 0.53325733833} Si1 2 1 14 {} {0.408159032827 0.592483973521 0.417933594961} Si2 3 1 8 {} {0.337183274674 0.577485653279 0.608506250708} O1 4 1 8 {} {0.281020196725 0.495335999531 0.525230831204} O2 5 1 6 {} {0.365562024476 0.441245891345 0.568664094097} C2 6 1 6 {} {0.457232581773 0.534908386927 0.41167643424} C3 7 1 8 {} {0.409833478075 0.636713050333 0.513155828056} O3 8 1 8 {} {0.408485202053 0.643470302216 0.330221438848} O4 9 1 14 {} {0.228674603894 0.500843296545 0.555879054788} Si3 10 1 7 {} {0.209049067887 0.422144096934 0.58731243994} N1 11 1 14 {} {0.172994084715 0.417855594532 0.679116964372} Si4 12 1 14 {} {0.224605673978 0.352152695828 0.523331882758} Si5 13 1 7 {} {0.225813739307 0.364659155574 0.409768380593} N2 14 1 7 {} {0.125482609575 0.466189265888 0.672013566656} N3 15 1 1 {} {0.352540966314 0.509792212129 0.37214670359} H1 16 1 1 {} {0.328006449454 0.587323929443 0.400179496914} H2 17 1 1 {} {0.360962329974 0.609665147478 0.595410895612} H3 18 1 1 {} {0.362227047579 0.400245985262 0.520158255203} H4 19 1 1 {} {0.352898279413 0.423169281651 0.633172241381} H5 20 1 1 {} {0.401273245875 0.45221877133 0.576909762201} H6 21 1 1 {} {0.489036374484 0.562469777621 0.410989484197} H7 22 1 1 {} {0.455800481333 0.50426017571 0.350763201394} H8 23 1 1 {} {0.458135443872 0.500780748897 0.469118203617} H9 24 1 1 {} {0.435034517009 0.66615152668 0.52337383311} H10 25 1 1 {} {0.436864376348 0.652096420226 0.301389107859} H11 26 1 1 {} {0.222914384809 0.546514831672 0.633891550588} H12 27 1 1 {} {0.203180521671 0.527425284012 0.47816752612} H13 28 1 1 {} {0.160127904224 0.346147383943 0.687331046163} H14 29 1 1 {} {0.196042706132 0.442171578774 0.761007680763} H15 30 1 1 {} {0.270524300316 0.330432414964 0.548214234567} H16 31 1 1 {} {0.19148014226 0.298714807151 0.54366072713} H17 32 1 1 {} {0.252297556389 0.388525471825 0.38177483219} H18 33 1 1 {} {0.197346816911 0.375222705555 0.375733030891} H19 34 1 1 {} {0.125305642151 0.513808501173 0.695747906725} H20 35 1 1 {} {0.102819066351 0.460197822843 0.622272550162} H21 36 1 6 {} {0.589013736431 0.33241962075 0.309714509729} C4 37 1 14 {} {0.584256057989 0.365876993132 0.426743010441} Si6 38 1 14 {} {0.573025734919 0.243334949721 0.291720107537} Si7 39 1 8 {} {0.612950794061 0.316872682642 0.494731837705} O5 40 1 8 {} {0.606852406457 0.441014346575 0.431679709734} O6 41 1 6 {} {0.525022011422 0.374526232568 0.463342040286} C5 42 1 6 {} {0.51215018074 0.232712683952 0.268172126053} C6 43 1 8 {} {0.588182678111 0.204703508997 0.386068868875} O7 44 1 8 {} {0.602709037581 0.206244041355 0.211861711966} O8 45 1 14 {} {0.65061662638 0.485743877715 0.460414462222} Si8 46 1 7 {} {0.635056118191 0.566846167085 0.487305660297} N4 47 1 14 {} {0.641528032991 0.594563261855 0.597814945742} Si9 48 1 14 {} {0.611159192893 0.620524613733 0.408417399597} Si10 49 1 7 {} {0.622264437947 0.601197774621 0.298882015685} N5 50 1 7 {} {0.694416722905 0.614432213891 0.634298707517} N6 51 1 1 {} {0.569597618304 0.364192768521 0.26376929917} H22 52 1 1 {} {0.624334319469 0.337564910518 0.290128430488} H23 53 1 1 {} {0.611321681972 0.26978335883 0.477219351742} H24 54 1 1 {} {0.505970715053 0.407484725272 0.418695930536} H25 55 1 1 {} {0.523747994265 0.396107755262 0.530820097177} H26 56 1 1 {} {0.50819396087 0.325645759252 0.465689955355} H27 57 1 1 {} {0.502869185491 0.179578692984 0.263564839399} H28 58 1 1 {} {0.502870668275 0.256856255639 0.204816455234} H29 59 1 1 {} {0.491749625132 0.255574266697 0.320972815617} H30 60 1 1 {} {0.591072893637 0.156406233863 0.383770962197} H31 61 1 1 {} {0.589563218708 0.202337344281 0.15310432139} H32 62 1 1 {} {0.672635265723 0.457081139868 0.541016542129} H33 63 1 1 {} {0.6823115243 0.485446088609 0.383666455109} H34 64 1 1 {} {0.6140549257 0.6566014872 0.604283061407} H35 65 1 1 {} {0.625202114227 0.541580215989 0.65929612265} H36 66 1 1 {} {0.561380690273 0.619843060816 0.416022982364} H37 67 1 1 {} {0.628170760541 0.689399554128 0.426339671282} H38 68 1 1 {} {0.60585547093 0.562915406298 0.268682027135} H39 69 1 1 {} {0.653886473907 0.604843427559 0.274486099202} H40 70 1 1 {} {0.715721935176 0.577175608495 0.651933901583} H41 71 1 1 {} {0.711290906138 0.653414934642 0.606994866711} 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