#MD System 2.0 @Title neb0_image06 @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 {} {0.214836955848 0.526829452836 0.326217236639} C1 1 1 14 {} {0.26778350919 0.489212988571 0.283488511909} Si1 2 1 14 {} {0.16817571702 0.535582085004 0.244926170613} Si2 3 1 8 {} {0.281669649593 0.524810706763 0.187934830859} O1 4 1 8 {} {0.307042385694 0.508136179861 0.355064349551} O2 5 1 6 {} {0.266650565494 0.396740918144 0.276271972303} C2 6 1 6 {} {0.136301718615 0.455756401501 0.227043147517} C3 7 1 8 {} {0.192439426954 0.560716836575 0.149770487457} O3 8 1 8 {} {0.132446173429 0.596758361106 0.270636831928} O4 9 1 14 {} {0.360021343272 0.538381061547 0.361127845083} Si3 10 1 7 {} {0.394934528266 0.47596042472 0.404682139575} N1 11 1 14 {} {0.451008274798 0.471807928367 0.36775868743} Si4 12 1 14 {} {0.37429018168 0.422254137068 0.487172954309} Si5 13 1 7 {} {0.345328196143 0.461457771553 0.569129712102} N2 14 1 7 {} {0.482911625314 0.552780127005 0.374492993572} N3 15 1 1 {} {0.202858312656 0.498114216381 0.384350905903} H1 16 1 1 {} {0.222359460471 0.577971739827 0.350367896834} H2 17 1 1 {} {0.255720218914 0.543144363862 0.15575372031} H3 18 1 1 {} {0.261691744805 0.37438159778 0.342193335411} H4 19 1 1 {} {0.2984577313 0.378322013146 0.249804950619} H5 20 1 1 {} {0.240161348168 0.379666103843 0.232181854146} H6 21 1 1 {} {0.10978448408 0.461565486838 0.176525178326} H7 22 1 1 {} {0.12095389983 0.437498526964 0.289461749686} H8 23 1 1 {} {0.159451879545 0.41654100886 0.203351707201} H9 24 1 1 {} {0.174370756449 0.584110175651 0.107099916933} H10 25 1 1 {} {0.104590786605 0.585519832192 0.296832319324} H11 26 1 1 {} {0.37556639353 0.559379748249 0.268839982409} H12 27 1 1 {} {0.359168411357 0.597631399455 0.420267230127} H13 28 1 1 {} {0.475606969688 0.414818780074 0.421141780714} H14 29 1 1 {} {0.453063728897 0.467692327402 0.27099727603} H15 30 1 1 {} {0.343357238326 0.37350786567 0.442118675477} H16 31 1 1 {} {0.414598485866 0.388166976785 0.521782557716} H17 32 1 1 {} {0.313322451924 0.475641564968 0.557430886842} H18 33 1 1 {} {0.362902861942 0.48923035558 0.612843738795} H19 34 1 1 {} {0.501066985349 0.575541296321 0.320585304718} H20 35 1 1 {} {0.489838011298 0.575209609086 0.446351315186} H21 36 1 6 {} {0.640980225019 0.641802670205 0.487179693046} C4 37 1 14 {} {0.603857952687 0.5739705176 0.435878120477} Si6 38 1 14 {} {0.641389422718 0.726909391529 0.441428638148} Si7 39 1 8 {} {0.60564341317 0.581295861964 0.322837486894} O5 40 1 8 {} {0.623885388875 0.498741324004 0.462032825229} O6 41 1 6 {} {0.54405005034 0.581436969731 0.478403876368} C5 42 1 6 {} {0.59579816316 0.775816268612 0.48762669779} C6 43 1 8 {} {0.638358335078 0.714210880835 0.332692472675} O7 44 1 8 {} {0.689477785183 0.76376633866 0.458107814588} O8 45 1 14 {} {0.635926407793 0.420458051032 0.436517202987} Si8 46 1 7 {} {0.590222066449 0.369357281742 0.450975314725} N4 47 1 14 {} {0.573281261072 0.321393742024 0.367736402243} Si9 48 1 14 {} {0.565994683308 0.368726026971 0.560649732972} Si10 49 1 7 {} {0.601504343884 0.386110581494 0.646718015975} N5 50 1 7 {} {0.605995295483 0.258721078474 0.328353595491} N6 51 1 1 {} {0.63999157735 0.640581109954 0.561353487202} H22 52 1 1 {} {0.672931966094 0.614934508332 0.470320856475} H23 53 1 1 {} {0.617608957956 0.628067833685 0.306770963578} H24 54 1 1 {} {0.542104801111 0.564573585029 0.550583622895} H25 55 1 1 {} {0.520457260007 0.548625312055 0.445186849535} H26 56 1 1 {} {0.531215589885 0.637246744574 0.472532118255} H27 57 1 1 {} {0.595296326058 0.825545604994 0.457556590309} H28 58 1 1 {} {0.597457599298 0.781171285776 0.560574892191} H29 59 1 1 {} {0.564495968898 0.750605807143 0.471510558487} H30 60 1 1 {} {0.646587237748 0.752271370502 0.29585708721} H31 61 1 1 {} {0.6910565448 0.801301436236 0.502045993416} H32 62 1 1 {} {0.648057479645 0.417891148773 0.338207791086} H33 63 1 1 {} {0.675105738237 0.401834470466 0.489628533697} H34 64 1 1 {} {0.529734324199 0.289835100433 0.398241751413} H35 65 1 1 {} {0.562861538358 0.364353587021 0.284952190066} H36 66 1 1 {} {0.529217948219 0.416220195246 0.56463412074} H37 67 1 1 {} {0.549262209245 0.297634665986 0.571479121039} H38 68 1 1 {} {0.607844435317 0.433652911849 0.661464520231} H39 69 1 1 {} {0.628050235669 0.356366824023 0.659390401954} H40 70 1 1 {} {0.631270134382 0.269820499475 0.283987626084} H41 71 1 1 {} {0.615972727271 0.221211535594 0.370391199682} 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