#MD System 2.0 @Title neb0_image05 @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 {} {0.365433088589 0.566276882594 0.41258886398} C1 1 1 14 {} {0.34241760976 0.539787531348 0.52338928318} Si1 2 1 14 {} {0.426933796028 0.576196941273 0.408484180653} Si2 3 1 8 {} {0.355761472551 0.596363167421 0.599396427648} O1 4 1 8 {} {0.287345226494 0.538240941089 0.516039153893} O2 5 1 6 {} {0.361327829506 0.454381862604 0.55790601191} C2 6 1 6 {} {0.456871131913 0.494682335896 0.39358104659} C3 7 1 8 {} {0.440195046273 0.611202671712 0.507242767091} O3 8 1 8 {} {0.439474933513 0.62761114565 0.325082442332} O4 9 1 14 {} {0.237090594427 0.542604610932 0.557331033579} Si3 10 1 7 {} {0.21763436078 0.464426820046 0.591455052793} N1 11 1 14 {} {0.195230383904 0.456111334272 0.698891946413} Si4 12 1 14 {} {0.21811617037 0.396760006146 0.516306910615} Si5 13 1 7 {} {0.212014761308 0.417868904449 0.405878625819} N2 14 1 7 {} {0.144773229011 0.495056266438 0.719156410999} N3 15 1 1 {} {0.355677983618 0.530439366558 0.360251180818} H1 16 1 1 {} {0.350101436306 0.614707218157 0.395468336863} H2 17 1 1 {} {0.385630369966 0.614654507286 0.589400657313} H3 18 1 1 {} {0.352717315192 0.41581623799 0.508467712278} H4 19 1 1 {} {0.345631233031 0.440500495118 0.621600028594} H5 20 1 1 {} {0.39766902816 0.45328302991 0.567928380726} H6 21 1 1 {} {0.492946962409 0.503392185791 0.390857491044} H7 22 1 1 {} {0.447077870337 0.470401981938 0.330616508749} H8 23 1 1 {} {0.450027583441 0.45945100586 0.448174203017} H9 24 1 1 {} {0.471281710917 0.624088830792 0.513142584307} H10 25 1 1 {} {0.471040743764 0.626188699072 0.310049832551} H11 26 1 1 {} {0.23547936311 0.586867367719 0.637622912528} H12 27 1 1 {} {0.208180877804 0.570696327163 0.485644764393} H13 28 1 1 {} {0.188546274676 0.382995271047 0.713196061955} H14 29 1 1 {} {0.226767829519 0.485346188946 0.764942844886} H15 30 1 1 {} {0.261359409434 0.360050882641 0.522212655422} H16 31 1 1 {} {0.180457936068 0.352261533467 0.543015818258} H17 32 1 1 {} {0.239045281364 0.432677810929 0.369969700024} H18 33 1 1 {} {0.18407645298 0.441456216513 0.383926106584} H19 34 1 1 {} {0.143963687836 0.544675383005 0.734077201886} H20 35 1 1 {} {0.116744299295 0.481263215181 0.685719315796} H21 36 1 6 {} {0.626190678889 0.626624202948 0.3503987181} C4 37 1 14 {} {0.582965846845 0.564652860959 0.388035858767} Si6 38 1 14 {} {0.620000240905 0.715067180494 0.386959099856} Si7 39 1 8 {} {0.534201829708 0.604687330085 0.383030474511} O5 40 1 8 {} {0.582206825098 0.500436571962 0.320602629674} O6 41 1 6 {} {0.59305710171 0.532110542165 0.502868135407} C5 42 1 6 {} {0.63760626338 0.731870364762 0.504382560791} C6 43 1 8 {} {0.565120075234 0.730216260266 0.375839891131} O7 44 1 8 {} {0.647113720252 0.764850080144 0.316845982881} O8 45 1 14 {} {0.576148861358 0.439391928307 0.248168744033} Si8 46 1 7 {} {0.588604677983 0.361288631064 0.291309895558} N4 47 1 14 {} {0.545108820666 0.304933683826 0.314601217223} Si9 48 1 14 {} {0.643294155938 0.335820171052 0.316297976072} Si10 49 1 7 {} {0.684246935332 0.381909082163 0.265063246433} N5 50 1 7 {} {0.521206250086 0.261650895105 0.22734734523} N6 51 1 1 {} {0.659836821911 0.608853780886 0.368186170109} H22 52 1 1 {} {0.624795970454 0.627248321989 0.276791189437} H23 53 1 1 {} {0.538685466344 0.653586683697 0.378913802898} H24 54 1 1 {} {0.624978683934 0.505109123304 0.506705454815} H25 55 1 1 {} {0.566617343866 0.496882994455 0.522414471864} H26 56 1 1 {} {0.593773508752 0.572569204667 0.552567148154} H27 57 1 1 {} {0.632231829895 0.784620731061 0.52254587118} H28 58 1 1 {} {0.673155209465 0.720396610127 0.514018443108} H29 59 1 1 {} {0.618478295349 0.701255407353 0.551889205509} H30 60 1 1 {} {0.553940958151 0.775627246091 0.372467013984} H31 61 1 1 {} {0.665110053594 0.800365151971 0.341956455138} H32 62 1 1 {} {0.528575232192 0.437119889084 0.219220153429} H33 63 1 1 {} {0.605374667646 0.455154784711 0.1706639782} H34 64 1 1 {} {0.564944534912 0.254030852188 0.375581431268} H35 65 1 1 {} {0.508200759953 0.342683065003 0.357659265271} H36 66 1 1 {} {0.652568430634 0.341807605896 0.413819329517} H37 67 1 1 {} {0.647095123155 0.264413731784 0.288126381484} H38 68 1 1 {} {0.697746103418 0.422546824139 0.295354326631} H39 69 1 1 {} {0.687259164107 0.384750998985 0.197677824262} H40 70 1 1 {} {0.498832969612 0.284564363689 0.18657987737} H41 71 1 1 {} {0.538605638815 0.226053938119 0.19364756716} 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