#MD System 2.0 @Title neb0_image06 @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 {} {0.367291134873 0.57101305049 0.412439164606} C1 1 1 14 {} {0.34438092152 0.544475012287 0.522771426232} Si1 2 1 14 {} {0.42889724588 0.580756643048 0.407945731388} Si2 3 1 8 {} {0.357546571817 0.601279855514 0.59868201679} O1 4 1 8 {} {0.289501818828 0.542674840072 0.515614673069} O2 5 1 6 {} {0.36333508367 0.459287445663 0.557441712987} C2 6 1 6 {} {0.458211614937 0.498785771001 0.393130725048} C3 7 1 8 {} {0.442077732454 0.616393226436 0.50644692738} O3 8 1 8 {} {0.441108667809 0.63348002208 0.325512580635} O4 9 1 14 {} {0.239083755865 0.547390839796 0.556898418173} Si3 10 1 7 {} {0.219437084993 0.469189182053 0.591108222199} N1 11 1 14 {} {0.197035412845 0.460925150459 0.698641814893} Si4 12 1 14 {} {0.21997246684 0.401493873893 0.515995423626} Si5 13 1 7 {} {0.213873957503 0.422516212478 0.405475910513} N2 14 1 7 {} {0.146564394246 0.499901320563 0.71891187586} N3 15 1 1 {} {0.357814812764 0.535296622294 0.359760765073} H1 16 1 1 {} {0.352200816706 0.61959868612 0.39504034625} H2 17 1 1 {} {0.387465006033 0.619548545163 0.588981882024} H3 18 1 1 {} {0.354693190759 0.4206779571 0.508097700702} H4 19 1 1 {} {0.347622656735 0.445437307942 0.621094557191} H5 20 1 1 {} {0.399649430958 0.45802630252 0.567402430431} H6 21 1 1 {} {0.494134522453 0.50781718798 0.390435081896} H7 22 1 1 {} {0.448914041002 0.474682485026 0.32995524838} H8 23 1 1 {} {0.451843249904 0.463534713077 0.447820391536} H9 24 1 1 {} {0.473059491475 0.629666985177 0.513194914765} H10 25 1 1 {} {0.472522468371 0.632218176791 0.309405400681} H11 26 1 1 {} {0.237388757685 0.591528702953 0.637139003213} H12 27 1 1 {} {0.210193752558 0.575413447515 0.485307315681} H13 28 1 1 {} {0.190336381901 0.387851096272 0.712904724264} H14 29 1 1 {} {0.228567102221 0.490127222628 0.764668272112} H15 30 1 1 {} {0.263223845595 0.364915626074 0.521870512459} H16 31 1 1 {} {0.182349835733 0.356947343992 0.542675738398} H17 32 1 1 {} {0.240898007669 0.437391695458 0.36966351021} H18 33 1 1 {} {0.185925633419 0.446175389865 0.383483834479} H19 34 1 1 {} {0.145793744831 0.549553035326 0.73370940773} H20 35 1 1 {} {0.118543433225 0.486154961398 0.685257957627} H21 36 1 6 {} {0.624461778652 0.621803507214 0.350707989619} C4 37 1 14 {} {0.5813286638 0.559932075055 0.388450932915} Si6 38 1 14 {} {0.617922187164 0.710118139708 0.387489199071} Si7 39 1 8 {} {0.532961720442 0.600992187606 0.383362609025} O5 40 1 8 {} {0.580660718462 0.495402371589 0.321112461909} O6 41 1 6 {} {0.591314155367 0.527091501791 0.50331068897} C5 42 1 6 {} {0.635567362798 0.727096720128 0.504792838816} C6 43 1 8 {} {0.563001987296 0.725508316098 0.37606670908} O7 44 1 8 {} {0.645195939442 0.759679401071 0.317465720694} O8 45 1 14 {} {0.574303026116 0.434444025923 0.248574179916} Si8 46 1 7 {} {0.586775353564 0.356341805512 0.29152091539} N4 47 1 14 {} {0.543127940474 0.299877001228 0.3148050616} Si9 48 1 14 {} {0.641334268396 0.330858161169 0.316680440716} Si10 49 1 7 {} {0.68230144504 0.377108937648 0.265461332416} N5 50 1 7 {} {0.519353535663 0.25675882005 0.227689768939} N6 51 1 1 {} {0.658006904144 0.603847008051 0.368974006233} H22 52 1 1 {} {0.622666626858 0.622335845802 0.277058950969} H23 53 1 1 {} {0.537461189307 0.6499198782 0.379258153291} H24 54 1 1 {} {0.623284751681 0.50014701656 0.507022213142} H25 55 1 1 {} {0.564828382562 0.491901266063 0.52292097151} H26 56 1 1 {} {0.591949425078 0.567646264887 0.552907041496} H27 57 1 1 {} {0.630280195871 0.779863796327 0.522857842334} H28 58 1 1 {} {0.671143167762 0.715648618879 0.514059839113} H29 59 1 1 {} {0.616563817533 0.696500645312 0.552463683102} H30 60 1 1 {} {0.552002777207 0.7710508346 0.3728913684} H31 61 1 1 {} {0.663108378856 0.79530335682 0.342545158454} H32 62 1 1 {} {0.526677684806 0.432297195578 0.21959304267} H33 63 1 1 {} {0.603547583756 0.450349811737 0.170906780702} H34 64 1 1 {} {0.563117951136 0.249135709969 0.376015318495} H35 65 1 1 {} {0.506330412765 0.337891226792 0.358109139976} H36 66 1 1 {} {0.650668859902 0.336905479305 0.414197732852} H37 67 1 1 {} {0.645241729369 0.259417374658 0.288496174274} H38 68 1 1 {} {0.695812813471 0.417723903714 0.295760301595} H39 69 1 1 {} {0.685403326713 0.379910100142 0.198060518939} H40 70 1 1 {} {0.497026081566 0.279793267186 0.187033150197} H41 71 1 1 {} {0.536732136928 0.221208734209 0.19404375054} 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