#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 {} {0.358224199563 0.546535510258 0.41400363979} C1 1 1 14 {} {0.334841804382 0.520132744438 0.524704137358} Si1 2 1 14 {} {0.41990612343 0.557332235254 0.409775077813} Si2 3 1 8 {} {0.347945179995 0.576854476573 0.600552324777} O1 4 1 8 {} {0.279736218623 0.518736949136 0.5173899383} O2 5 1 6 {} {0.353547054449 0.434866811482 0.55941444677} C2 6 1 6 {} {0.451063342541 0.477054333516 0.395196954012} C3 7 1 8 {} {0.432832114078 0.591893932275 0.508887003645} O3 8 1 8 {} {0.433177865147 0.608935929515 0.32711197998} O4 9 1 14 {} {0.229461472386 0.523000295117 0.55872099108} Si3 10 1 7 {} {0.20980621328 0.444792117982 0.592963304452} N1 11 1 14 {} {0.187418341374 0.436490568318 0.7005449797} Si4 12 1 14 {} {0.210297550089 0.377006900275 0.517988955552} Si5 13 1 7 {} {0.204228362103 0.398113637293 0.407501993876} N2 14 1 7 {} {0.136973112649 0.475564524836 0.720700962011} N3 15 1 1 {} {0.348225793701 0.510766507301 0.361740102118} H1 16 1 1 {} {0.342627320909 0.594850094633 0.396852705129} H2 17 1 1 {} {0.377888076212 0.595028529108 0.591244430036} H3 18 1 1 {} {0.344916580833 0.396260881143 0.510079610606} H4 19 1 1 {} {0.337863569325 0.42089857677 0.623071221728} H5 20 1 1 {} {0.38988146007 0.433563363875 0.569472891113} H6 21 1 1 {} {0.487194663647 0.486396827977 0.392270486753} H7 22 1 1 {} {0.441540583146 0.452650052021 0.332238084894} H8 23 1 1 {} {0.444804111755 0.441563167228 0.449757563184} H9 24 1 1 {} {0.463464253532 0.607124679464 0.515124317462} H10 25 1 1 {} {0.465167083104 0.612189872373 0.315904389117} H11 26 1 1 {} {0.227689910274 0.567093536507 0.63912674911} H12 27 1 1 {} {0.200417419344 0.550965539609 0.487194618979} H13 28 1 1 {} {0.180679887318 0.363397942508 0.714796478981} H14 29 1 1 {} {0.218970032611 0.465636487343 0.766565431654} H15 30 1 1 {} {0.253564697899 0.340390146985 0.523867797801} H16 31 1 1 {} {0.172651761811 0.332486112075 0.544696738431} H17 32 1 1 {} {0.231261325802 0.412814183912 0.371548172499} H18 33 1 1 {} {0.17626086459 0.421639798569 0.385441615863} H19 34 1 1 {} {0.136160324625 0.525176046176 0.73574249276} H20 35 1 1 {} {0.108891226016 0.461680031844 0.687421280334} H21 36 1 6 {} {0.632591239083 0.64600588774 0.348981098259} C4 37 1 14 {} {0.589487333334 0.583461979779 0.386301769427} Si6 38 1 14 {} {0.626967433373 0.734468235459 0.385535719625} Si7 39 1 8 {} {0.539113731231 0.618755898939 0.380394339659} O5 40 1 8 {} {0.590411520492 0.518934522985 0.319332045133} O6 41 1 6 {} {0.600487107099 0.551718886989 0.501333751206} C5 42 1 6 {} {0.645210005384 0.751507965752 0.502658810609} C6 43 1 8 {} {0.572128018126 0.749307785305 0.374151925916} O7 44 1 8 {} {0.654671116197 0.783889991199 0.315596521249} O8 45 1 14 {} {0.584043556396 0.458617558901 0.246247977987} Si8 46 1 7 {} {0.596411498326 0.380517721922 0.289231635641} N4 47 1 14 {} {0.553057221224 0.324327670922 0.312860717446} Si9 48 1 14 {} {0.651237128558 0.355388284387 0.314487604312} Si10 49 1 7 {} {0.692155310311 0.401484026865 0.26348429312} N5 50 1 7 {} {0.528980938362 0.281054894745 0.225648599237} N6 51 1 1 {} {0.665981759748 0.62758669319 0.367682599624} H22 52 1 1 {} {0.631815755677 0.646834257144 0.275331813316} H23 53 1 1 {} {0.541150581322 0.667809598434 0.375813822333} H24 54 1 1 {} {0.632600815348 0.525157315354 0.504241097222} H25 55 1 1 {} {0.574378771034 0.516202039042 0.521712306076} H26 56 1 1 {} {0.601362884406 0.592316291604 0.550814257948} H27 57 1 1 {} {0.639969491184 0.804276726712 0.520868416223} H28 58 1 1 {} {0.68079493474 0.740076919193 0.512031777473} H29 59 1 1 {} {0.626222082619 0.720957140193 0.550397371657} H30 60 1 1 {} {0.561794379729 0.795193782851 0.371064381815} H31 61 1 1 {} {0.672710661153 0.819463617636 0.340576981793} H32 62 1 1 {} {0.536342025621 0.456628324129 0.217534655236} H33 63 1 1 {} {0.613158346423 0.474788621336 0.168657376714} H34 64 1 1 {} {0.572899835797 0.273441638927 0.373832077003} H35 65 1 1 {} {0.516163092327 0.361906459028 0.35606310706} H36 66 1 1 {} {0.660367512433 0.361436349198 0.412175234221} H37 67 1 1 {} {0.654974713767 0.28391834387 0.286502463848} H38 68 1 1 {} {0.705435675437 0.44227792912 0.293637743889} H39 69 1 1 {} {0.695090761093 0.404446719264 0.19611444679} H40 70 1 1 {} {0.506711115057 0.304311647126 0.184887934139} H41 71 1 1 {} {0.546464063279 0.245581165076 0.191751174042} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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