#MD System 2.0 @Title neb0_image09 @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 {} {0.223983247189 0.525258321385 0.340424100573} C1 1 1 14 {} {0.277914428825 0.488301969656 0.298655390678} Si1 2 1 14 {} {0.177339463393 0.533722738851 0.259489792781} Si2 3 1 8 {} {0.290489304915 0.521198164977 0.200740639686} O1 4 1 8 {} {0.317547105756 0.508891723086 0.369804832856} O2 5 1 6 {} {0.27598855441 0.395089332555 0.291678670845} C2 6 1 6 {} {0.145769280664 0.454005891527 0.241697334065} C3 7 1 8 {} {0.201818603633 0.559783794061 0.165291277806} O3 8 1 8 {} {0.14194102949 0.594762908328 0.286474390668} O4 9 1 14 {} {0.368971228152 0.537704907272 0.374208654554} Si3 10 1 7 {} {0.402530695905 0.473469039248 0.416322860595} N1 11 1 14 {} {0.455604149133 0.471718508327 0.369613039641} Si4 12 1 14 {} {0.383252384524 0.419519172266 0.500094135709} Si5 13 1 7 {} {0.354501038587 0.458195153001 0.585005270345} N2 14 1 7 {} {0.46902753632 0.55553222653 0.363314380525} N3 15 1 1 {} {0.212405156627 0.496632326567 0.398913280089} H1 16 1 1 {} {0.231870971167 0.576074188157 0.364598519006} H2 17 1 1 {} {0.264996482046 0.541462417882 0.170050116014} H3 18 1 1 {} {0.270820189092 0.372049797082 0.357494785204} H4 19 1 1 {} {0.307698282901 0.376003145558 0.264922376703} H5 20 1 1 {} {0.249212643166 0.37799501175 0.246979640903} H6 21 1 1 {} {0.119250564003 0.460222804605 0.191665108792} H7 22 1 1 {} {0.130237393271 0.436303902992 0.303918522241} H8 23 1 1 {} {0.168166030959 0.414175371431 0.218123254098} H9 24 1 1 {} {0.183271238538 0.582712707947 0.121981841573} H10 25 1 1 {} {0.113560761467 0.582380461626 0.312592639223} H11 26 1 1 {} {0.385320347191 0.55721899131 0.284470449523} H12 27 1 1 {} {0.36837988999 0.596283992414 0.43588179649} H13 28 1 1 {} {0.482174594399 0.423430089891 0.425596234191} H14 29 1 1 {} {0.460091486018 0.451114819859 0.273673447152} H15 30 1 1 {} {0.352074795626 0.370627198897 0.459276874389} H16 31 1 1 {} {0.423266360386 0.386027436629 0.538357196998} H17 32 1 1 {} {0.322891935718 0.47461272549 0.573654881112} H18 33 1 1 {} {0.370634482171 0.488633973444 0.628814290035} H19 34 1 1 {} {0.498287786853 0.565757541606 0.332347234369} H20 35 1 1 {} {0.470057555044 0.577070205638 0.424524618969} H21 36 1 6 {} {0.639153159375 0.642187878541 0.472218398079} C4 37 1 14 {} {0.600547944326 0.578433398618 0.427652744156} Si6 38 1 14 {} {0.634183045907 0.72788979423 0.426974606778} Si7 39 1 8 {} {0.59343742313 0.585432573937 0.317942061695} O5 40 1 8 {} {0.617186282989 0.501802811916 0.448161034221} O6 41 1 6 {} {0.546831958355 0.585593930908 0.486268349693} C5 42 1 6 {} {0.586288264637 0.777543498195 0.472028588769} C6 43 1 8 {} {0.629631405093 0.716304001368 0.316743290994} O7 44 1 8 {} {0.681573290171 0.769148474526 0.442772865497} O8 45 1 14 {} {0.627198448332 0.423424534879 0.420515562558} Si8 46 1 7 {} {0.581680527429 0.371956035118 0.439015671586} N4 47 1 14 {} {0.562167290479 0.322583934118 0.350286549391} Si9 48 1 14 {} {0.557160025741 0.368415627634 0.545582941946} Si10 49 1 7 {} {0.592545296533 0.387284686591 0.632052468917} N5 50 1 7 {} {0.597141707597 0.259945540755 0.312838210862} N6 51 1 1 {} {0.632302466235 0.641888756847 0.544444371262} H22 52 1 1 {} {0.672895061014 0.623023985154 0.460134983204} H23 53 1 1 {} {0.606094245316 0.626990067264 0.293107769562} H24 54 1 1 {} {0.544067889606 0.576358468918 0.558500084275} H25 55 1 1 {} {0.533005570493 0.540672986152 0.455066020017} H26 56 1 1 {} {0.527904810039 0.630639115217 0.466089967933} H27 57 1 1 {} {0.585539448882 0.827982233041 0.442629222612} H28 58 1 1 {} {0.588310714782 0.783197681903 0.544949547122} H29 59 1 1 {} {0.554163799739 0.753574731191 0.456887963657} H30 60 1 1 {} {0.637506722953 0.753792100163 0.27880704659} H31 61 1 1 {} {0.681801276143 0.803885565265 0.487694690789} H32 62 1 1 {} {0.638540266743 0.419049088578 0.323851640564} H33 63 1 1 {} {0.666299613342 0.403728058901 0.47557956865} H34 64 1 1 {} {0.520421663611 0.290680828479 0.383159966989} H35 65 1 1 {} {0.55395974872 0.365581385617 0.270955336165} H36 66 1 1 {} {0.520268955446 0.417992177934 0.553325653717} H37 67 1 1 {} {0.539790650756 0.299083385294 0.557087394739} H38 68 1 1 {} {0.598780712936 0.435915868984 0.647369548191} H39 69 1 1 {} {0.619531117883 0.358179036397 0.645772522737} H40 70 1 1 {} {0.621761145674 0.271079928211 0.268622050067} H41 71 1 1 {} {0.606658905505 0.222117851312 0.354067543114} 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