#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 {} {0.20522810861 0.529024025751 0.309560866856} C1 1 1 14 {} {0.259072148671 0.491569963702 0.268331861257} Si1 2 1 14 {} {0.158364187809 0.537168560004 0.228958437905} Si2 3 1 8 {} {0.271478355668 0.523520642453 0.169503219355} O1 4 1 8 {} {0.299173555282 0.51186975592 0.338531297237} O2 5 1 6 {} {0.256939365364 0.398376423024 0.261712502499} C2 6 1 6 {} {0.126727729336 0.457483730452 0.211309652443} C3 7 1 8 {} {0.182504613829 0.562511319045 0.134282584675} O3 8 1 8 {} {0.123186471043 0.598128868939 0.257035907672} O4 9 1 14 {} {0.350758377894 0.541302712734 0.344571635843} Si3 10 1 7 {} {0.385539536117 0.478448447911 0.386176030245} N1 11 1 14 {} {0.439615869327 0.475996919936 0.344034022681} Si4 12 1 14 {} {0.365257962981 0.424042425982 0.469029252216} Si5 13 1 7 {} {0.335527974809 0.461081792181 0.55413964644} N2 14 1 7 {} {0.461578419894 0.555647068866 0.35009250683} N3 15 1 1 {} {0.193577115752 0.50052645802 0.368029085458} H1 16 1 1 {} {0.213193208238 0.579894518066 0.33332695028} H2 17 1 1 {} {0.246416592214 0.544842337215 0.139053623256} H3 18 1 1 {} {0.251676362025 0.374906670165 0.327193191904} H4 19 1 1 {} {0.288665525321 0.379245884156 0.234979883378} H5 20 1 1 {} {0.230195710083 0.38179570778 0.216660306628} H6 21 1 1 {} {0.10036037189 0.464003821118 0.160989145303} H7 22 1 1 {} {0.110996689908 0.439837870227 0.273364092953} H8 23 1 1 {} {0.149074342802 0.417554602947 0.18772461922} H9 24 1 1 {} {0.163905783297 0.586358260273 0.0915642639679} H10 25 1 1 {} {0.0946579962452 0.585516863371 0.282658080541} H11 26 1 1 {} {0.367149475854 0.561408800715 0.255074751542} H12 27 1 1 {} {0.34942508145 0.599850017108 0.405538133451} H13 28 1 1 {} {0.463572271003 0.423474158705 0.396567608613} H14 29 1 1 {} {0.441632352701 0.458322773014 0.247588190509} H15 30 1 1 {} {0.333904582667 0.374806790561 0.428055820443} H16 31 1 1 {} {0.404746531319 0.389493681789 0.507718689097} H17 32 1 1 {} {0.304099531872 0.477473948655 0.542327082689} H18 33 1 1 {} {0.351282442429 0.492394030452 0.597841208239} H19 34 1 1 {} {0.484971491112 0.570554796579 0.304486229162} H20 35 1 1 {} {0.466819517235 0.578361461074 0.40942043364} H21 36 1 6 {} {0.655327635319 0.637482573352 0.502527462282} C4 37 1 14 {} {0.615707997454 0.573520103193 0.455740045078} Si6 38 1 14 {} {0.652585533705 0.724110504279 0.457805196055} Si7 39 1 8 {} {0.612267414148 0.58195589062 0.346206359823} O5 40 1 8 {} {0.635966374337 0.498835796261 0.479374116378} O6 41 1 6 {} {0.558877540368 0.579323089346 0.506005619883} C5 42 1 6 {} {0.605047229015 0.774598812121 0.502866776509} C6 43 1 8 {} {0.648328470741 0.712932717469 0.347307007946} O7 44 1 8 {} {0.700074069987 0.766106522436 0.472753224868} O8 45 1 14 {} {0.646012834098 0.420776900926 0.4515192547} Si8 46 1 7 {} {0.600955649302 0.368706504028 0.470083230005} N4 47 1 14 {} {0.581475631454 0.319023010086 0.380449563481} Si9 48 1 14 {} {0.575342976846 0.364333942231 0.573074126754} Si10 49 1 7 {} {0.612772236002 0.384528822103 0.663201132614} N5 50 1 7 {} {0.615166869253 0.256729686223 0.341842780699} N6 51 1 1 {} {0.651276518856 0.638740670387 0.575621705454} H22 52 1 1 {} {0.689478320356 0.61933892337 0.489720800021} H23 53 1 1 {} {0.625268866217 0.623569431367 0.323582045641} H24 54 1 1 {} {0.558447766042 0.570244868152 0.578264860966} H25 55 1 1 {} {0.537387771589 0.541703706905 0.47415022516} H26 56 1 1 {} {0.544046509093 0.628878748001 0.493698966137} H27 57 1 1 {} {0.604343552603 0.824930319282 0.473138969169} H28 58 1 1 {} {0.607095438812 0.780307461648 0.575806606826} H29 59 1 1 {} {0.572915296527 0.750515101241 0.487825590416} H30 60 1 1 {} {0.656582255373 0.750274252608 0.309155406198} H31 61 1 1 {} {0.700538894089 0.800337001737 0.517764116167} H32 62 1 1 {} {0.657488224834 0.415778472303 0.354652465996} H33 63 1 1 {} {0.685442447 0.400538699713 0.506720767328} H34 64 1 1 {} {0.539280821019 0.288233042182 0.413916667954} H35 65 1 1 {} {0.573004403358 0.36271504558 0.301143802159} H36 66 1 1 {} {0.538516231763 0.413418408399 0.58305873688} H37 67 1 1 {} {0.559283102153 0.294985771089 0.587849224844} H38 68 1 1 {} {0.6171279463 0.432268006174 0.677500848687} H39 69 1 1 {} {0.637754226931 0.355368738072 0.676272042919} H40 70 1 1 {} {0.640195254399 0.267421657327 0.298331799223} H41 71 1 1 {} {0.625019939371 0.217973567996 0.383445838997} 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