#MD System 2.0 @Title neb0_image01 @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 {} {0.202504869355 0.529181395918 0.30567875059} C1 1 1 14 {} {0.25643633952 0.492197192568 0.263828387134} Si1 2 1 14 {} {0.155810038234 0.537684229824 0.224676048269} Si2 3 1 8 {} {0.26906667308 0.525404614397 0.166069997104} O1 4 1 8 {} {0.296417532821 0.512457909205 0.334829425553} O2 5 1 6 {} {0.254477082359 0.399020233609 0.256811887677} C2 6 1 6 {} {0.124277923396 0.457974809857 0.206922638035} C3 7 1 8 {} {0.180312875502 0.563479904758 0.130387747792} O3 8 1 8 {} {0.120462538966 0.598848886993 0.251559705537} O4 9 1 14 {} {0.34790162535 0.541408581249 0.339873046598} Si3 10 1 7 {} {0.382654789763 0.478484753376 0.381520944937} N1 11 1 14 {} {0.437097018353 0.476938172396 0.340695596687} Si4 12 1 14 {} {0.362267290768 0.424277925858 0.464316442002} Si5 13 1 7 {} {0.333146655714 0.462116268543 0.549734249003} N2 14 1 7 {} {0.459070846789 0.556667398855 0.346853946861} N3 15 1 1 {} {0.190898095525 0.500576718246 0.364157886146} H1 16 1 1 {} {0.210335118577 0.580008654003 0.329859611142} H2 17 1 1 {} {0.243502456295 0.54540710634 0.135330889565} H3 18 1 1 {} {0.249324912958 0.376062129093 0.322682345617} H4 19 1 1 {} {0.286204802083 0.380017442629 0.230025964863} H5 20 1 1 {} {0.227706540943 0.381913336755 0.212115448896} H6 21 1 1 {} {0.0977578392432 0.464136287412 0.156871235266} H7 22 1 1 {} {0.108745250515 0.440205052421 0.269100052167} H8 23 1 1 {} {0.146689041577 0.418164525798 0.183296801384} H9 24 1 1 {} {0.161834384369 0.586595666053 0.0871741699312} H10 25 1 1 {} {0.0920908784587 0.586481153362 0.27764250404} H11 26 1 1 {} {0.364292086987 0.561366101663 0.24999227723} H12 27 1 1 {} {0.346768165632 0.600246818575 0.400958339636} H13 28 1 1 {} {0.461095437665 0.424525688188 0.393288139378} H14 29 1 1 {} {0.439192069046 0.459624089308 0.243892556871} H15 30 1 1 {} {0.330777718066 0.375124354749 0.424065444995} H16 31 1 1 {} {0.401726977348 0.390050525225 0.503633900912} H17 32 1 1 {} {0.301520337941 0.478583021091 0.538799496926} H18 33 1 1 {} {0.349155693232 0.492482691217 0.593745216677} H19 34 1 1 {} {0.481914654402 0.571594634687 0.300858355545} H20 35 1 1 {} {0.464894739402 0.57881823885 0.406834351115} H21 36 1 6 {} {0.657682732782 0.636628521215 0.507018070686} C4 37 1 14 {} {0.618186478451 0.572814831329 0.45909895971} Si6 38 1 14 {} {0.655331633531 0.723280192182 0.462160908201} Si7 39 1 8 {} {0.615929599353 0.581062486589 0.349455747862} O5 40 1 8 {} {0.637891578132 0.498028805195 0.483386173296} O6 41 1 6 {} {0.561085125918 0.578933986308 0.508155020017} C5 42 1 6 {} {0.607743536643 0.773741283484 0.506884153672} C6 43 1 8 {} {0.651018999125 0.71252968272 0.351701658725} O7 44 1 8 {} {0.702933846372 0.764637037346 0.477837024872} O8 45 1 14 {} {0.648505971455 0.420187533689 0.455489120087} Si8 46 1 7 {} {0.603161669623 0.367984601118 0.473616172884} N4 47 1 14 {} {0.5835992671 0.318781777889 0.385102563561} Si9 48 1 14 {} {0.578514189595 0.36468595015 0.580079543457} Si10 49 1 7 {} {0.613702566042 0.383445014401 0.667062348086} N5 50 1 7 {} {0.618657881602 0.256081560123 0.347834091989} N6 51 1 1 {} {0.65354816191 0.638176664915 0.580112747638} H22 52 1 1 {} {0.691741510342 0.617830681069 0.494574959324} H23 53 1 1 {} {0.628225180683 0.623444936398 0.327637362536} H24 54 1 1 {} {0.561259367329 0.568970941049 0.580275819118} H25 55 1 1 {} {0.539007956077 0.541995488868 0.47636042459} H26 56 1 1 {} {0.546664196813 0.628902805236 0.497313082999} H27 57 1 1 {} {0.606992226441 0.824159600651 0.47750542035} H28 58 1 1 {} {0.609803112927 0.779250013795 0.5798222647} H29 59 1 1 {} {0.575675228043 0.749558998919 0.491682875271} H30 60 1 1 {} {0.659051978362 0.749920518249 0.31374962194} H31 61 1 1 {} {0.703290545462 0.799678964027 0.522452520759} H32 62 1 1 {} {0.660048798441 0.41511184047 0.358744323251} H33 63 1 1 {} {0.687686677229 0.399788331849 0.510277936622} H34 64 1 1 {} {0.541844583764 0.28676288613 0.417967589569} H35 65 1 1 {} {0.57545267139 0.361636617505 0.305504814935} H36 66 1 1 {} {0.541314574969 0.4140761411 0.586285098004} H37 67 1 1 {} {0.561292648842 0.295268656801 0.59180500344} H38 68 1 1 {} {0.620290394355 0.432030441585 0.68200370382} H39 69 1 1 {} {0.640726370469 0.354330071683 0.680148465845} H40 70 1 1 {} {0.643277911367 0.267143636496 0.303559601567} H41 71 1 1 {} {0.628207385732 0.218314939618 0.389059131283} 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