#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 {} {0.208250156959 0.528132335476 0.313719508172} C1 1 1 14 {} {0.261721699394 0.490369837826 0.27192046085} Si1 2 1 14 {} {0.161391862459 0.536638519716 0.233145894232} Si2 3 1 8 {} {0.273967830545 0.521308531463 0.172702218034} O1 4 1 8 {} {0.301908634175 0.511794621541 0.34224069854} O2 5 1 6 {} {0.259528594167 0.397264872414 0.266338860896} C2 6 1 6 {} {0.129515852695 0.457232964265 0.215258160018} C3 7 1 8 {} {0.185662412449 0.562884431872 0.138829732089} O3 8 1 8 {} {0.126241850877 0.597530020784 0.26172342421} O4 9 1 14 {} {0.353162068539 0.54082856781 0.348845466102} Si3 10 1 7 {} {0.387720227827 0.477454915827 0.390236445792} N1 11 1 14 {} {0.441544443808 0.475060682369 0.34646991811} Si4 12 1 14 {} {0.36755979653 0.422888588893 0.47306335392} Si5 13 1 7 {} {0.338234230516 0.460634969149 0.558281255766} N2 14 1 7 {} {0.462034560839 0.555846448239 0.349590698808} N3 15 1 1 {} {0.196528434267 0.499997352466 0.372543390618} H1 16 1 1 {} {0.21612760566 0.579088641854 0.337317239422} H2 17 1 1 {} {0.24890849887 0.54375016969 0.14328521045} H3 18 1 1 {} {0.254081562682 0.374105065076 0.331900245279} H4 19 1 1 {} {0.291113225527 0.377910198709 0.239493751879} H5 20 1 1 {} {0.23270975475 0.380809222627 0.221270460688} H6 21 1 1 {} {0.103103099689 0.463935550282 0.165021255162} H7 22 1 1 {} {0.113702844038 0.439951307381 0.277420778471} H8 23 1 1 {} {0.151533809462 0.416878995753 0.191849526599} H9 24 1 1 {} {0.166939959703 0.586047946989 0.0960325570658} H10 25 1 1 {} {0.0977069791141 0.584648917541 0.286645813869} H11 26 1 1 {} {0.369998003306 0.561479853064 0.259494957205} H12 27 1 1 {} {0.351857739624 0.599085996376 0.410740840184} H13 28 1 1 {} {0.466493124842 0.423838015328 0.399714385734} H14 29 1 1 {} {0.443284594303 0.455622727176 0.250439550466} H15 30 1 1 {} {0.336266778199 0.373941040354 0.432517154431} H16 31 1 1 {} {0.40706722091 0.388913652142 0.511867440689} H17 32 1 1 {} {0.306587408998 0.476869919781 0.546574490858} H18 33 1 1 {} {0.353872264631 0.491726958016 0.60175251241} H19 34 1 1 {} {0.487217214417 0.568994673603 0.307522598309} H20 35 1 1 {} {0.465775345158 0.578930005259 0.409643961832} H21 36 1 6 {} {0.653643412103 0.638665074552 0.498393796733} C4 37 1 14 {} {0.613966055774 0.574312935064 0.452490662666} Si6 38 1 14 {} {0.650631414632 0.725052274234 0.453213791669} Si7 39 1 8 {} {0.60886558704 0.583003729673 0.342998571585} O5 40 1 8 {} {0.634037370488 0.499771806966 0.475115666265} O6 41 1 6 {} {0.55751630607 0.579832673179 0.504359711583} C5 42 1 6 {} {0.602626748711 0.775070773869 0.497559622156} C6 43 1 8 {} {0.647158487811 0.713375725799 0.342754538244} O7 44 1 8 {} {0.697848122938 0.767197971091 0.469367975928} O8 45 1 14 {} {0.643570656937 0.421594800068 0.448074796869} Si8 46 1 7 {} {0.5978199709 0.369162826159 0.46424388933} N4 47 1 14 {} {0.578087753415 0.320633042513 0.377212917771} Si9 48 1 14 {} {0.573462778562 0.365537468449 0.573031190384} Si10 49 1 7 {} {0.608374250305 0.384813741677 0.657339606275} N5 50 1 7 {} {0.612407162219 0.256986769854 0.338021589692} N6 51 1 1 {} {0.649324877025 0.639927667199 0.571427894119} H22 52 1 1 {} {0.68788635871 0.620560786799 0.485971295524} H23 53 1 1 {} {0.622326445943 0.623997435755 0.319310473322} H24 54 1 1 {} {0.558003529512 0.571952258782 0.576981240759} H25 55 1 1 {} {0.536637790665 0.540578695899 0.47443863792} H26 56 1 1 {} {0.541858032204 0.628415476359 0.490737852123} H27 57 1 1 {} {0.601626945685 0.825559732727 0.468365982941} H28 58 1 1 {} {0.604848097483 0.78068065823 0.570483137496} H29 59 1 1 {} {0.570529691705 0.750857495515 0.482951887495} H30 60 1 1 {} {0.654086094502 0.750966179701 0.304421977818} H31 61 1 1 {} {0.697936484379 0.802002101833 0.514561513176} H32 62 1 1 {} {0.654675750508 0.416226248794 0.350644663965} H33 63 1 1 {} {0.682568613999 0.400867817255 0.502368066124} H34 64 1 1 {} {0.536344281313 0.288931411446 0.410345067892} H35 65 1 1 {} {0.569915184086 0.363612433248 0.29740545351} H36 66 1 1 {} {0.53520309344 0.413676746152 0.579188253073} H37 67 1 1 {} {0.556405512976 0.295334030006 0.583698303204} H38 68 1 1 {} {0.614294184886 0.432944203501 0.673506787} H39 69 1 1 {} {0.63519586031 0.355964598078 0.671885997176} H40 70 1 1 {} {0.636992146846 0.268272636536 0.293451891366} H41 71 1 1 {} {0.621683278287 0.218565935251 0.378069161794} 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