#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 {} {0.205074312941 0.528729294972 0.309833353319} C1 1 1 14 {} {0.259010478589 0.491757748185 0.268070245437} Si1 2 1 14 {} {0.158371555389 0.537211230236 0.228863512574} Si2 3 1 8 {} {0.271624378623 0.524858203643 0.170266161765} O1 4 1 8 {} {0.299024135293 0.511982627288 0.338979085326} O2 5 1 6 {} {0.257054907197 0.398575506544 0.26100863878} C2 6 1 6 {} {0.126849125082 0.457475607131 0.211098722535} C3 7 1 8 {} {0.182872684103 0.562979255587 0.134560917666} O3 8 1 8 {} {0.123048474476 0.598377998027 0.255776212573} O4 9 1 14 {} {0.350506144361 0.540946831051 0.344096117021} Si3 10 1 7 {} {0.385243878913 0.478032855639 0.385703409526} N1 11 1 14 {} {0.439647373874 0.476429279424 0.344809077901} Si4 12 1 14 {} {0.364875140432 0.423842802508 0.468520952039} Si5 13 1 7 {} {0.335715996265 0.461600983679 0.55391976435} N2 14 1 7 {} {0.461626663406 0.556127777838 0.350995042367} N3 15 1 1 {} {0.193484077499 0.500100421819 0.368307128094} H1 16 1 1 {} {0.212937636101 0.579550087994 0.33400322727} H2 17 1 1 {} {0.246098949665 0.544942294711 0.139472284608} H3 18 1 1 {} {0.25190366946 0.375562234727 0.326829975949} H4 19 1 1 {} {0.288772504638 0.379523290278 0.234248796716} H5 20 1 1 {} {0.230286902955 0.381450494978 0.216315785646} H6 21 1 1 {} {0.100336938631 0.463684000888 0.16103569994} H7 22 1 1 {} {0.111314907222 0.439738762711 0.273289362786} H8 23 1 1 {} {0.149269793562 0.417683809897 0.187477578029} H9 24 1 1 {} {0.164397890738 0.586126364996 0.091365198912} H10 25 1 1 {} {0.0946701392428 0.585989641797 0.281848444382} H11 26 1 1 {} {0.36687208218 0.560905440962 0.254224249994} H12 27 1 1 {} {0.349352196086 0.599765953575 0.405126453766} H13 28 1 1 {} {0.463669608405 0.424051906336 0.397426577004} H14 29 1 1 {} {0.441773585126 0.459126866708 0.248072061367} H15 30 1 1 {} {0.333382786993 0.374671412742 0.428250507002} H16 31 1 1 {} {0.404323683591 0.389559479845 0.507805702108} H17 32 1 1 {} {0.304102866839 0.478101868858 0.542969626165} H18 33 1 1 {} {0.351710574412 0.49201886122 0.597901229392} H19 34 1 1 {} {0.484506959683 0.571118801709 0.305065209616} H20 35 1 1 {} {0.467451414202 0.578352772514 0.410883394163} H21 36 1 6 {} {0.655098214124 0.637083042006 0.502819248969} C4 37 1 14 {} {0.615609912072 0.573255904052 0.454947551446} Si6 38 1 14 {} {0.652740293296 0.723747810349 0.458010625433} Si7 39 1 8 {} {0.613299729727 0.581566412423 0.345303696621} O5 40 1 8 {} {0.635338739503 0.498527357432 0.479211144478} O6 41 1 6 {} {0.558528469461 0.579414228964 0.504072916054} C5 42 1 6 {} {0.605164375874 0.774225884126 0.502729535756} C6 43 1 8 {} {0.64841848577 0.713001922407 0.347505532696} O7 44 1 8 {} {0.700347919993 0.765138511336 0.473618217147} O8 45 1 14 {} {0.645916567096 0.420661255199 0.451306217719} Si8 46 1 7 {} {0.600617720111 0.368477244042 0.469507999197} N4 47 1 14 {} {0.581086885628 0.319210709718 0.380892133434} Si9 48 1 14 {} {0.575889552935 0.365128600616 0.575670564557} Si10 49 1 7 {} {0.611145019725 0.383918979082 0.662808434785} N5 50 1 7 {} {0.616048473971 0.256548552651 0.343591100286} N6 51 1 1 {} {0.650978867748 0.63864936637 0.575904651429} H22 52 1 1 {} {0.689173597825 0.618345658787 0.490380659582} H23 53 1 1 {} {0.625636773057 0.623906832681 0.323454645839} H24 54 1 1 {} {0.558663599939 0.569476330168 0.576202120412} H25 55 1 1 {} {0.53649583308 0.542449509147 0.472248521346} H26 56 1 1 {} {0.544086162681 0.629364360634 0.49315817309} H27 57 1 1 {} {0.604406856611 0.82464539492 0.473305299178} H28 58 1 1 {} {0.607214031926 0.779741642669 0.575670527957} H29 59 1 1 {} {0.573099520898 0.750058259308 0.487514219688} H30 60 1 1 {} {0.656473307651 0.750388578026 0.309554439949} H31 61 1 1 {} {0.700707093147 0.800163164357 0.518260996127} H32 62 1 1 {} {0.657464055975 0.415591383337 0.354562644527} H33 63 1 1 {} {0.685111716716 0.400278648132 0.506129251671} H34 64 1 1 {} {0.539277925081 0.287286433253 0.413782551782} H35 65 1 1 {} {0.572873982977 0.362119657719 0.301346708857} H36 66 1 1 {} {0.538727185477 0.414528986931 0.582188682135} H37 67 1 1 {} {0.558734016106 0.295702503898 0.587672687711} H38 68 1 1 {} {0.617705038156 0.432538259915 0.677839262541} H39 69 1 1 {} {0.638170998973 0.354798871442 0.676024041612} H40 70 1 1 {} {0.64066548734 0.267622322885 0.299367875282} H41 71 1 1 {} {0.625597029307 0.218787592458 0.384825539909} 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