#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 {} {0.214378808694 0.527011505274 0.32369547996} C1 1 1 14 {} {0.267881829468 0.489342427873 0.282450690598} Si1 2 1 14 {} {0.167637157282 0.535312208499 0.243436743687} Si2 3 1 8 {} {0.280616701646 0.520124186324 0.183364109877} O1 4 1 8 {} {0.306758124584 0.511988677235 0.354771349079} O2 5 1 6 {} {0.266184272438 0.396211663664 0.27671407941} C2 6 1 6 {} {0.136197723243 0.455513929615 0.2257180176} C3 7 1 8 {} {0.191692817242 0.562141982463 0.149407894012} O3 8 1 8 {} {0.132108780224 0.595524457402 0.2726991777} O4 9 1 14 {} {0.358251654743 0.539257020099 0.358373425969} Si3 10 1 7 {} {0.391983711939 0.474280321178 0.39727734998} N1 11 1 14 {} {0.443956431717 0.472642223683 0.347442954034} Si4 12 1 14 {} {0.373324562938 0.421250453926 0.483056404006} Si5 13 1 7 {} {0.344660857606 0.459651009204 0.56864612645} N2 14 1 7 {} {0.457349597335 0.556210733399 0.338351694672} N3 15 1 1 {} {0.202919212251 0.498865531471 0.382632743874} H1 16 1 1 {} {0.222606020973 0.577796837359 0.347379871364} H2 17 1 1 {} {0.255847616284 0.542674748371 0.153555845063} H3 18 1 1 {} {0.260696136822 0.372843390894 0.342198158449} H4 19 1 1 {} {0.297774675286 0.376861410348 0.249758798923} H5 20 1 1 {} {0.239396770758 0.379710841267 0.231539531963} H6 21 1 1 {} {0.109679188926 0.462123746083 0.175783922449} H7 22 1 1 {} {0.120528278517 0.438410548119 0.288100006325} H8 23 1 1 {} {0.158117566735 0.415041801889 0.202373260082} H9 24 1 1 {} {0.172753571316 0.585052039236 0.106451370306} H10 25 1 1 {} {0.103778357026 0.581993461014 0.298307833327} H11 26 1 1 {} {0.374358806889 0.559348763342 0.268706476297} H12 27 1 1 {} {0.358716485203 0.597554508005 0.421061687011} H13 28 1 1 {} {0.473436118896 0.430488133791 0.404906010947} H14 29 1 1 {} {0.446432304925 0.443843196057 0.255191526817} H15 30 1 1 {} {0.341884855943 0.371034159329 0.445331634777} H16 31 1 1 {} {0.413326269071 0.387991402351 0.522209616341} H17 32 1 1 {} {0.31314446433 0.476080666999 0.557875731645} H18 33 1 1 {} {0.360379085807 0.490585875225 0.612531859126} H19 34 1 1 {} {0.487936905316 0.565833640794 0.31247340291} H20 35 1 1 {} {0.452975389662 0.583255277046 0.394906267762} H21 36 1 6 {} {0.652074200648 0.640902408053 0.488120598116} C4 37 1 14 {} {0.611510581408 0.576644494853 0.447576971914} Si6 38 1 14 {} {0.645265349505 0.727096124346 0.44229812364} Si7 39 1 8 {} {0.599837639268 0.585584374118 0.339806204759} O5 40 1 8 {} {0.63050041733 0.500844102437 0.465298592442} O6 41 1 6 {} {0.558134448127 0.581432389073 0.509464647461} C5 42 1 6 {} {0.596575570629 0.775900920748 0.487365621208} C6 43 1 8 {} {0.639878160749 0.715248097597 0.332126777982} O7 44 1 8 {} {0.691893742054 0.771153306026 0.456143358505} O8 45 1 14 {} {0.637680995429 0.422230646938 0.436896670506} Si8 46 1 7 {} {0.591589796889 0.371291195746 0.4550222912} N4 47 1 14 {} {0.571593611357 0.321198016702 0.365877882105} Si9 48 1 14 {} {0.566808307929 0.366541401068 0.560451539341} Si10 49 1 7 {} {0.602061538274 0.385415832118 0.647380864325} N5 50 1 7 {} {0.60614221865 0.258129258331 0.327272826584} N6 51 1 1 {} {0.646410121221 0.642355423097 0.560791499131} H22 52 1 1 {} {0.687209709893 0.626275975595 0.477644103276} H23 53 1 1 {} {0.613864679737 0.62429849564 0.311173095626} H24 54 1 1 {} {0.561142667949 0.580679431536 0.582278137659} H25 55 1 1 {} {0.540769343482 0.535678758106 0.487383609641} H26 56 1 1 {} {0.538337854202 0.624836984623 0.489471077155} H27 57 1 1 {} {0.59544670799 0.826394041588 0.458037967473} H28 58 1 1 {} {0.598427441775 0.78198152293 0.560216541225} H29 59 1 1 {} {0.564369909978 0.751943218942 0.472421817625} H30 60 1 1 {} {0.647320604166 0.752044331206 0.29271466009} H31 61 1 1 {} {0.692196438631 0.803865628676 0.50321675274} H32 62 1 1 {} {0.648374761226 0.417215652236 0.340099971337} H33 63 1 1 {} {0.676728017713 0.400885640585 0.491684084061} H34 64 1 1 {} {0.5299898956 0.289460787428 0.399613830968} H35 65 1 1 {} {0.563566928582 0.364502056197 0.286261574013} H36 66 1 1 {} {0.529323419413 0.414953837436 0.568993303176} H37 67 1 1 {} {0.54990665423 0.296826026067 0.57233530988} H38 68 1 1 {} {0.60806983762 0.434819364184 0.663581133629} H39 69 1 1 {} {0.629388587938 0.356483031664 0.661549654294} H40 70 1 1 {} {0.630475678095 0.268951284226 0.283426259461} H41 71 1 1 {} {0.615140826913 0.219386039644 0.36712975761} 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