#MD System 2.0 @Title neb0_image08 @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 {} {0.22119905279 0.525762765438 0.335921727348} C1 1 1 14 {} {0.275125447641 0.488775173356 0.294123529757} Si1 2 1 14 {} {0.174553815413 0.534233566984 0.254927136555} Si2 3 1 8 {} {0.287681106483 0.521712852469 0.196211419307} O1 4 1 8 {} {0.314884610224 0.509299002671 0.365087035717} O2 5 1 6 {} {0.273163151134 0.395566569246 0.287112667808} C2 6 1 6 {} {0.142960513308 0.45454098115 0.237173128323} C3 7 1 8 {} {0.199027724377 0.560268035896 0.160701139265} O3 8 1 8 {} {0.139153699868 0.595263704906 0.281939276981} O4 9 1 14 {} {0.366352536149 0.538152524712 0.369830507521} Si3 10 1 7 {} {0.400288284346 0.474341234645 0.411796091883} N1 11 1 14 {} {0.453703749295 0.472442952609 0.366913075488} Si4 12 1 14 {} {0.380620874813 0.420391128957 0.495195706775} Si5 13 1 7 {} {0.351663895232 0.458637239582 0.58052285546} N2 14 1 7 {} {0.469782752408 0.555323271252 0.364463184297} N3 15 1 1 {} {0.209583660969 0.497149938866 0.394382161768} H1 16 1 1 {} {0.229067699829 0.576593788022 0.36004573772} H2 17 1 1 {} {0.262194986756 0.541978161724 0.165488708694} H3 18 1 1 {} {0.26798976852 0.372546542104 0.352933598312} H4 19 1 1 {} {0.304876345104 0.376499190392 0.260347803575} H5 20 1 1 {} {0.246381184228 0.378507907248 0.242394101248} H6 21 1 1 {} {0.116441605448 0.460760519541 0.187121150438} H7 22 1 1 {} {0.127413099635 0.436829572429 0.299370378224} H8 23 1 1 {} {0.165339710155 0.414696377265 0.213573660095} H9 24 1 1 {} {0.18045881716 0.583203606152 0.117426948404} H10 25 1 1 {} {0.110756003574 0.582907529114 0.307994110013} H11 26 1 1 {} {0.38277939333 0.557869462006 0.280132783472} H12 27 1 1 {} {0.365522722591 0.596803104803 0.431286470087} H13 28 1 1 {} {0.479677710883 0.423041966978 0.422023734939} H14 29 1 1 {} {0.457471300803 0.453230706012 0.270689379889} H15 30 1 1 {} {0.349395072988 0.371475876458 0.45447373063} H16 31 1 1 {} {0.420458073997 0.386653669289 0.533726162699} H17 32 1 1 {} {0.320128636418 0.475196044279 0.569027897497} H18 33 1 1 {} {0.367783558001 0.489164054683 0.624174730611} H19 34 1 1 {} {0.497791715013 0.566684630471 0.328966079321} H20 35 1 1 {} {0.472792087388 0.576901853553 0.425570708413} H21 36 1 6 {} {0.64083201161 0.641046927409 0.47675703849} C4 37 1 14 {} {0.602113377379 0.57734623558 0.431134142346} Si6 38 1 14 {} {0.63687441461 0.727092508872 0.431692727626} Si7 39 1 8 {} {0.596412758476 0.584896718826 0.321407642} O5 40 1 8 {} {0.619752826446 0.501280197154 0.452909374407} O6 41 1 6 {} {0.547397954452 0.584128263039 0.486832907213} C5 42 1 6 {} {0.589100040254 0.777105848345 0.476568839062} C6 43 1 8 {} {0.632461768837 0.715836007464 0.321339361295} O7 44 1 8 {} {0.684357998625 0.76841445617 0.44742640811} O8 45 1 14 {} {0.629924946301 0.42316100932 0.425159419006} Si8 46 1 7 {} {0.584482184755 0.371447566268 0.443543055031} N4 47 1 14 {} {0.564932241645 0.322064148801 0.354798680677} Si9 48 1 14 {} {0.559811740658 0.367966317144 0.549910404504} Si10 49 1 7 {} {0.59521517123 0.386807505588 0.636506123045} N5 50 1 7 {} {0.599872035814 0.259288905755 0.317237235539} N6 51 1 1 {} {0.63500919757 0.641475254075 0.549361853218} H22 52 1 1 {} {0.674640769733 0.622046640752 0.464529255663} H23 53 1 1 {} {0.609126251848 0.626523742177 0.297645030001} H24 54 1 1 {} {0.545524748363 0.57471806124 0.558873788962} H25 55 1 1 {} {0.530611525095 0.541754222674 0.455273105682} H26 56 1 1 {} {0.529754953217 0.631051924307 0.469470779759} H27 57 1 1 {} {0.588327051287 0.82754333332 0.447188659788} H28 58 1 1 {} {0.591122254424 0.782703632625 0.549512217038} H29 59 1 1 {} {0.556990741994 0.753066466056 0.461428384005} H30 60 1 1 {} {0.64033539466 0.753285909789 0.283393672186} H31 61 1 1 {} {0.684625611193 0.803258467656 0.492179631897} H32 62 1 1 {} {0.641351963861 0.41858254226 0.328510189986} H33 63 1 1 {} {0.669096077065 0.403268932359 0.480169648674} H34 64 1 1 {} {0.523211768229 0.290231607453 0.387797864189} H35 65 1 1 {} {0.556765482785 0.365052703648 0.275520309747} H36 66 1 1 {} {0.522826644792 0.417515950599 0.557199384932} H37 67 1 1 {} {0.542599584067 0.298604770307 0.561650944994} H38 68 1 1 {} {0.601554890824 0.435414205461 0.651861651966} H39 69 1 1 {} {0.622178823185 0.357702752659 0.650114420599} H40 70 1 1 {} {0.624551805059 0.270584985342 0.273227859563} H41 71 1 1 {} {0.609466479435 0.221628723955 0.358607595408} 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