#MD System 2.0 @Title neb0_image09 @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 {} {0.226094709087 0.524301992511 0.347946950361} C1 1 1 14 {} {0.278151598789 0.486445738531 0.307131374266} Si1 2 1 14 {} {0.180854973002 0.533722054216 0.267484548565} Si2 3 1 8 {} {0.293902747852 0.515374713294 0.208621214577} O1 4 1 8 {} {0.310001711419 0.51666772592 0.390207162796} O2 5 1 6 {} {0.281308942077 0.393662607845 0.301795171802} C2 6 1 6 {} {0.151114412555 0.452931916689 0.249709163034} C3 7 1 8 {} {0.206715799838 0.561424958546 0.175497386808} O3 8 1 8 {} {0.145490746252 0.5938147367 0.296818706418} O4 9 1 14 {} {0.363925851923 0.532426190361 0.382790816481} Si3 10 1 7 {} {0.390574811637 0.454444578588 0.397250944012} N1 11 1 14 {} {0.438975793843 0.464797237168 0.317130734696} Si4 12 1 14 {} {0.382907357999 0.41089068207 0.504469566142} Si5 13 1 7 {} {0.359233864987 0.457133208351 0.590448346281} N2 14 1 7 {} {0.423056054438 0.536725421741 0.258539628337} N3 15 1 1 {} {0.217042551309 0.495641297732 0.407733458138} H1 16 1 1 {} {0.237701094552 0.573677533308 0.370869122357} H2 17 1 1 {} {0.270920098319 0.540908524954 0.177067334765} H3 18 1 1 {} {0.276158312913 0.370508870201 0.367453026805} H4 19 1 1 {} {0.313299019588 0.375342713991 0.275282900458} H5 20 1 1 {} {0.255041160664 0.375543039206 0.256360297954} H6 21 1 1 {} {0.124568496882 0.458853750141 0.1997564055} H7 22 1 1 {} {0.135871513646 0.436298276564 0.312742279581} H8 23 1 1 {} {0.173557805069 0.41274266812 0.227171281609} H9 24 1 1 {} {0.188195157006 0.582909583706 0.131110119552} H10 25 1 1 {} {0.118187460269 0.578905443991 0.324525228232} H11 26 1 1 {} {0.369880331871 0.559016898784 0.273118862862} H12 27 1 1 {} {0.376198076368 0.584978246294 0.439692805022} H13 28 1 1 {} {0.479556129314 0.470118252809 0.373202999187} H14 29 1 1 {} {0.439355795677 0.392658748402 0.256761647316} H15 30 1 1 {} {0.352741556761 0.356839407107 0.487400046536} H16 31 1 1 {} {0.42581850899 0.387852701254 0.541348812967} H17 32 1 1 {} {0.327564073574 0.47330567332 0.586800927471} H18 33 1 1 {} {0.37607014889 0.485010454734 0.63529992812} H19 34 1 1 {} {0.437634124655 0.577577606753 0.292912520841} H20 35 1 1 {} {0.357805218268 0.613547494631 0.268059181917} H21 36 1 6 {} {0.664707112685 0.653835849575 0.46536810703} C4 37 1 14 {} {0.619314355427 0.57997287437 0.447713434817} Si6 38 1 14 {} {0.639828353161 0.735688401018 0.415406308152} Si7 39 1 8 {} {0.580179269265 0.597405193085 0.366360057143} O5 40 1 8 {} {0.638520642955 0.499472225822 0.437459261153} O6 41 1 6 {} {0.583332519765 0.57665571562 0.558982280085} C5 42 1 6 {} {0.585704560058 0.773188910216 0.462224883699} C6 43 1 8 {} {0.629846944266 0.720976963029 0.308241165049} O7 44 1 8 {} {0.677255636035 0.79489554086 0.422938390875} O8 45 1 14 {} {0.628479506283 0.421778191384 0.413150989213} Si8 46 1 7 {} {0.577806818665 0.378132933159 0.432071351608} N4 47 1 14 {} {0.557617637144 0.325893828668 0.344452728964} Si9 48 1 14 {} {0.555054637155 0.368569271467 0.540546929754} Si10 49 1 7 {} {0.592259835801 0.384651304999 0.625472803799} N5 50 1 7 {} {0.590934077075 0.261715715176 0.303623596029} N6 51 1 1 {} {0.659550006767 0.656213610244 0.53798192112} H22 52 1 1 {} {0.700616478098 0.658118604773 0.470242044503} H23 53 1 1 {} {0.58813468166 0.620879727162 0.309868207702} H24 54 1 1 {} {0.596460077429 0.617043149135 0.599701203893} H25 55 1 1 {} {0.587991303255 0.533260567907 0.607683134666} H26 56 1 1 {} {0.550288477593 0.574958499334 0.532809504012} H27 57 1 1 {} {0.582931772981 0.823090475351 0.432017564162} H28 58 1 1 {} {0.584416557297 0.782152035358 0.534196351789} H29 59 1 1 {} {0.553738714337 0.749637157767 0.445411639063} H30 60 1 1 {} {0.630878563781 0.756016468304 0.264112842843} H31 61 1 1 {} {0.679677881424 0.817934579198 0.479099423846} H32 62 1 1 {} {0.633396324174 0.414841936737 0.314653056852} H33 63 1 1 {} {0.664538876195 0.391858714349 0.464646005662} H34 64 1 1 {} {0.516046210213 0.291807032427 0.375629329061} H35 65 1 1 {} {0.548225313305 0.367132083039 0.263794807314} H36 66 1 1 {} {0.519202010852 0.417894982282 0.561250747027} H37 67 1 1 {} {0.53601333695 0.298965935299 0.548202941301} H38 68 1 1 {} {0.594374883907 0.433095728336 0.64338508995} H39 69 1 1 {} {0.61979326601 0.359169374901 0.641375442028} H40 70 1 1 {} {0.6152403489 0.271932936118 0.25817702309} H41 71 1 1 {} {0.599844892648 0.221465757244 0.341046459437} 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