#MD System 2.0 @Title neb0_image02 @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 {} {0.205089279788 0.528702221257 0.309851615963} C1 1 1 14 {} {0.259018238372 0.491735613901 0.268016884603} Si1 2 1 14 {} {0.158380790312 0.5372208442 0.228872408043} Si2 3 1 8 {} {0.271649259722 0.524926608992 0.170258259968} O1 4 1 8 {} {0.298993887446 0.511993664908 0.339014394353} O2 5 1 6 {} {0.257053170853 0.398549068778 0.260992249294} C2 6 1 6 {} {0.126856411084 0.457488465439 0.211096087832} C3 7 1 8 {} {0.182885043745 0.563008184485 0.134568106579} O3 8 1 8 {} {0.12304051202 0.59838350752 0.255725737832} O4 9 1 14 {} {0.35048585206 0.540935196207 0.344070243644} Si3 10 1 7 {} {0.38523184556 0.47800852895 0.385693778641} N1 11 1 14 {} {0.439666209216 0.476469933376 0.344846077571} Si4 12 1 14 {} {0.364852285181 0.423815418378 0.468513221878} Si5 13 1 7 {} {0.335726166014 0.461641384533 0.553913931125} N2 14 1 7 {} {0.461637338439 0.55617640733 0.351020689415} N3 15 1 1 {} {0.193478038256 0.5001033339 0.368339054624} H1 16 1 1 {} {0.212913932148 0.579534446094 0.334039057191} H2 17 1 1 {} {0.246082041545 0.544932125739 0.139509429757} H3 18 1 1 {} {0.251903972088 0.375590738057 0.326862037022} H4 19 1 1 {} {0.288785047784 0.379547075085 0.234201401997} H5 20 1 1 {} {0.23028586326 0.381439144198 0.216288480641} H6 21 1 1 {} {0.100338385981 0.46366118782 0.161047535752} H7 22 1 1 {} {0.111324748021 0.439730026618 0.273275482319} H8 23 1 1 {} {0.149269554248 0.417690792017 0.187472424955} H9 24 1 1 {} {0.164412320201 0.58612195899 0.0913476321214} H10 25 1 1 {} {0.0946697958301 0.586008050041 0.281819127909} H11 26 1 1 {} {0.366872549392 0.560893721964 0.254161648234} H12 27 1 1 {} {0.349347518554 0.599776542264 0.405138411651} H13 28 1 1 {} {0.4636786471 0.424051048325 0.397470891029} H14 29 1 1 {} {0.441772143449 0.459148761523 0.248067293145} H15 30 1 1 {} {0.33335679509 0.374648829251 0.428241369193} H16 31 1 1 {} {0.404306080797 0.389576813564 0.507811894408} H17 32 1 1 {} {0.30409955111 0.478109013468 0.542974405315} H18 33 1 1 {} {0.351737484142 0.492008982684 0.597923565058} H19 34 1 1 {} {0.484499015382 0.571123326034 0.305024818163} H20 35 1 1 {} {0.467462714167 0.578344331618 0.41099308356} H21 36 1 6 {} {0.655103210866 0.637091756861 0.502834858593} C4 37 1 14 {} {0.615613581495 0.573260817835 0.454931633921} Si6 38 1 14 {} {0.652751071071 0.723756712828 0.458018778198} Si7 39 1 8 {} {0.61333303644 0.581540757306 0.345284672316} O5 40 1 8 {} {0.635304701052 0.498515698305 0.479192939692} O6 41 1 6 {} {0.558512482133 0.579403307554 0.503996239384} C5 42 1 6 {} {0.605164301575 0.774211540176 0.502708950494} C6 43 1 8 {} {0.648414132665 0.713004322245 0.347517649298} O7 44 1 8 {} {0.700365576233 0.765103332977 0.473652190301} O8 45 1 14 {} {0.645915763872 0.420651331262 0.451302968398} Si8 46 1 7 {} {0.600590426062 0.368465259527 0.469455524477} N4 47 1 14 {} {0.581041688501 0.319246400701 0.380902664564} Si9 48 1 14 {} {0.575935091779 0.365153226715 0.575866783787} Si10 49 1 7 {} {0.611134502417 0.383924407408 0.662883690658} N5 50 1 7 {} {0.616071466971 0.256556551474 0.343653268783} N6 51 1 1 {} {0.650967082401 0.638650220051 0.575933442727} H22 52 1 1 {} {0.689162599937 0.618300353271 0.490395606356} H23 53 1 1 {} {0.625646740017 0.623919869925 0.323461248061} H24 54 1 1 {} {0.558685948279 0.569447748699 0.57610027983} H25 55 1 1 {} {0.536447148479 0.542467269993 0.472189876235} H26 56 1 1 {} {0.544088170412 0.629386245656 0.493136101725} H27 57 1 1 {} {0.60441314532 0.824633145645 0.473326912626} H28 58 1 1 {} {0.607223650852 0.779723611273 0.57564293667} H29 59 1 1 {} {0.573096210312 0.7500330506 0.487504057767} H30 60 1 1 {} {0.65646974903 0.750392824325 0.309573066347} H31 61 1 1 {} {0.700710412766 0.800153272409 0.518276218508} H32 62 1 1 {} {0.657469550796 0.41558699087 0.354565396061} H33 63 1 1 {} {0.685106259117 0.400265615084 0.50609823325} H34 64 1 1 {} {0.539265033489 0.287235506957 0.413792130507} H35 65 1 1 {} {0.572873328345 0.36211186081 0.301328488493} H36 66 1 1 {} {0.538739369243 0.414551326771 0.582114638918} H37 67 1 1 {} {0.558714865378 0.295747129358 0.587633737362} H38 68 1 1 {} {0.61771088101 0.432506056184 0.677829938585} H39 69 1 1 {} {0.638147163947 0.354802436582 0.675972085941} H40 70 1 1 {} {0.640698024514 0.26761618542 0.299387878789} H41 71 1 1 {} {0.625629001856 0.218791507808 0.384880309406} 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