#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 {} {0.202646150903 0.529267208997 0.305267344376} C1 1 1 14 {} {0.256449743886 0.491826208768 0.263497241922} Si1 2 1 14 {} {0.155882663795 0.537525527817 0.224509528139} Si2 3 1 8 {} {0.268805393541 0.524214964871 0.165209463621} O1 4 1 8 {} {0.296743992646 0.511907768178 0.333853733849} O2 5 1 6 {} {0.254333138695 0.398677525757 0.257015938416} C2 6 1 6 {} {0.124155228045 0.458054732254 0.206976128293} C3 7 1 8 {} {0.180179913636 0.563164034193 0.129927990828} O3 8 1 8 {} {0.120714704192 0.598543051833 0.252701929845} O4 9 1 14 {} {0.348026423691 0.54128041597 0.339839795773} Si3 10 1 7 {} {0.382872252338 0.478792827754 0.381898507883} N1 11 1 14 {} {0.437249768552 0.476815907415 0.340948736342} Si4 12 1 14 {} {0.362400045311 0.424319520162 0.464202664005} Si5 13 1 7 {} {0.33295918908 0.461692814093 0.549633495818} N2 14 1 7 {} {0.45947642935 0.556299820835 0.347327977238} N3 15 1 1 {} {0.190921548324 0.500863606745 0.363776394016} H1 16 1 1 {} {0.210565174833 0.580160827685 0.329083033633} H2 17 1 1 {} {0.243541934487 0.545395299935 0.134816883304} H3 18 1 1 {} {0.24913066629 0.375514506384 0.322735098673} H4 19 1 1 {} {0.286042626035 0.379455594881 0.230327064619} H5 20 1 1 {} {0.227541692981 0.381774556898 0.212254909336} H6 21 1 1 {} {0.0977052559765 0.464551434991 0.156882483768} H7 22 1 1 {} {0.108514223534 0.440585207218 0.269177935171} H8 23 1 1 {} {0.146366051662 0.417980038108 0.183406861182} H9 24 1 1 {} {0.161642063431 0.586791062478 0.0872866607162} H10 25 1 1 {} {0.0921970240847 0.585888623861 0.277980616701} H11 26 1 1 {} {0.36453268341 0.561672141717 0.250285434239} H12 27 1 1 {} {0.346616757272 0.60009290788 0.400863075648} H13 28 1 1 {} {0.461017995379 0.423947261879 0.392996114014} H14 29 1 1 {} {0.439161930923 0.459565106346 0.244232165789} H15 30 1 1 {} {0.330995827339 0.375164042471 0.423596870194} H16 31 1 1 {} {0.401887621385 0.389869705289 0.503385272267} H17 32 1 1 {} {0.301349150445 0.47804398885 0.538247090389} H18 33 1 1 {} {0.348738317576 0.492614148838 0.593390973705} H19 34 1 1 {} {0.482164323804 0.571435560509 0.301061026433} H20 35 1 1 {} {0.465379823114 0.578797521069 0.406876950093} H21 36 1 6 {} {0.657712615783 0.637136515901 0.50703063076} C4 37 1 14 {} {0.618264559737 0.572983045104 0.459669055644} Si6 38 1 14 {} {0.655360094005 0.723686600321 0.461841159369} Si7 39 1 8 {} {0.616045243855 0.580985657563 0.349950600563} O5 40 1 8 {} {0.638424810335 0.49841959625 0.484182179909} O6 41 1 6 {} {0.561012633714 0.578810694597 0.508749221481} C5 42 1 6 {} {0.607666955704 0.774080585761 0.506513116579} C6 43 1 8 {} {0.652153513018 0.712270198159 0.351326741482} O7 44 1 8 {} {0.702678398248 0.765806625891 0.477459962506} O8 45 1 14 {} {0.64866649345 0.420476640017 0.45609484408} Si8 46 1 7 {} {0.603204797671 0.368341547749 0.473770383092} N4 47 1 14 {} {0.583552299665 0.319200485327 0.385111143627} Si9 48 1 14 {} {0.578447918821 0.364268209634 0.580106666929} Si10 49 1 7 {} {0.613507658714 0.383366456201 0.667392358329} N5 50 1 7 {} {0.618337296831 0.256416639294 0.347603966789} N6 51 1 1 {} {0.653809644743 0.638628665022 0.58018830805} H22 52 1 1 {} {0.691805755946 0.618699383401 0.494179399579} H23 53 1 1 {} {0.62826241237 0.623234551273 0.327701262408} H24 54 1 1 {} {0.560799386007 0.569271698177 0.580967447536} H25 55 1 1 {} {0.538970674037 0.541718741634 0.477107378145} H26 56 1 1 {} {0.546386293449 0.628609688241 0.497406568488} H27 57 1 1 {} {0.606851814733 0.824526162541 0.477374185451} H28 58 1 1 {} {0.60992578362 0.779508131155 0.579469188863} H29 59 1 1 {} {0.57550601972 0.749990526674 0.491905179849} H30 60 1 1 {} {0.659495605689 0.750011655674 0.313387715633} H31 61 1 1 {} {0.703123102436 0.800196905615 0.522944415618} H32 62 1 1 {} {0.660124860359 0.415334037387 0.359293403632} H33 63 1 1 {} {0.687828856987 0.399702159937 0.510930845366} H34 64 1 1 {} {0.541678416687 0.287453251855 0.418037997678} H35 65 1 1 {} {0.575396561511 0.361942423635 0.305534929413} H36 66 1 1 {} {0.540933423517 0.41310166326 0.58660161908} H37 67 1 1 {} {0.561696062911 0.294558018996 0.59154943673} H38 68 1 1 {} {0.620044380037 0.432142417394 0.681473364494} H39 69 1 1 {} {0.640664843513 0.354590022075 0.680482003925} H40 70 1 1 {} {0.642746007643 0.267223301172 0.302871928766} H41 71 1 1 {} {0.627684937216 0.218064706273 0.388126197017} 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