#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 {} {0.216618308032 0.526565020356 0.328115660735} C1 1 1 14 {} {0.270461037123 0.489390115794 0.28652504886} Si1 2 1 14 {} {0.170000963756 0.535056576286 0.247555503914} Si2 3 1 8 {} {0.282991374573 0.52080014976 0.187495524888} O1 4 1 8 {} {0.309408415885 0.511496603695 0.358058284157} O2 5 1 6 {} {0.268812193227 0.39599497704 0.280527026407} C2 6 1 6 {} {0.138583445907 0.455315922704 0.229659205315} C3 7 1 8 {} {0.19454667812 0.561810095741 0.153989485818} O3 8 1 8 {} {0.134571543288 0.595506973747 0.275669242715} O4 9 1 14 {} {0.361373056009 0.539127063655 0.362313320917} Si3 10 1 7 {} {0.394537966903 0.473935472914 0.402105848393} N1 11 1 14 {} {0.44689780843 0.472395750339 0.351430829036} Si4 12 1 14 {} {0.376038666848 0.421077284759 0.487487844394} Si5 13 1 7 {} {0.346969404778 0.459130053568 0.573739955227} N2 14 1 7 {} {0.459661197282 0.558392050565 0.341758788452} N3 15 1 1 {} {0.205240747474 0.498104038775 0.386957408744} H1 16 1 1 {} {0.224836893857 0.577370671011 0.352060225333} H2 17 1 1 {} {0.257832331 0.542732906294 0.157723022879} H3 18 1 1 {} {0.263542192164 0.372931618901 0.346232737563} H4 19 1 1 {} {0.300502992527 0.376971797441 0.253677258643} H5 20 1 1 {} {0.242030076021 0.379362055744 0.235604257973} H6 21 1 1 {} {0.112009911613 0.461724716329 0.179830655125} H7 22 1 1 {} {0.122946438557 0.437988663097 0.29192758345} H8 23 1 1 {} {0.160625184569 0.415037215942 0.206245364152} H9 24 1 1 {} {0.175800811182 0.584308961462 0.110360346078} H10 25 1 1 {} {0.106103128445 0.582517099679 0.30169145961} H11 26 1 1 {} {0.377572365298 0.558762974841 0.272717919679} H12 27 1 1 {} {0.361280622829 0.597612916627 0.424565667957} H13 28 1 1 {} {0.475213526968 0.429307192973 0.409924116203} H14 29 1 1 {} {0.450187281512 0.445429037515 0.25891700369} H15 30 1 1 {} {0.344276863871 0.370768402802 0.448743113518} H16 31 1 1 {} {0.41592522146 0.387509893319 0.526722955899} H17 32 1 1 {} {0.31557206237 0.476096258505 0.562229895775} H18 33 1 1 {} {0.36285347687 0.490349654713 0.617189197821} H19 34 1 1 {} {0.48918254426 0.564566218216 0.316897663155} H20 35 1 1 {} {0.455700228702 0.581756629294 0.404766134527} H21 36 1 6 {} {0.649053179026 0.640814228351 0.484264708643} C4 37 1 14 {} {0.608627227179 0.577179856723 0.441670734612} Si6 38 1 14 {} {0.642177975676 0.726682608738 0.438207171337} Si7 39 1 8 {} {0.5988970957 0.585589636189 0.335009709361} O5 40 1 8 {} {0.627180704562 0.5007892645 0.460272422368} O6 41 1 6 {} {0.555257661059 0.582168193981 0.503021700516} C5 42 1 6 {} {0.593596936859 0.776054317396 0.483184990117} C6 43 1 8 {} {0.638008534949 0.715021086392 0.328095765422} O7 44 1 8 {} {0.689259867086 0.770372006182 0.453697110693} O8 45 1 14 {} {0.635037834457 0.422457654175 0.433173491258} Si8 46 1 7 {} {0.588808744807 0.370516198821 0.449737871776} N4 47 1 14 {} {0.569407225125 0.321818592119 0.362485431176} Si9 48 1 14 {} {0.564528076111 0.367102752277 0.558573089385} Si10 49 1 7 {} {0.600313033327 0.386239853539 0.644292549537} N5 50 1 7 {} {0.603875272154 0.258830457023 0.324054443537} N6 51 1 1 {} {0.641720267398 0.641492806837 0.556374637569} H22 52 1 1 {} {0.683978994585 0.625158216539 0.473653919045} H23 53 1 1 {} {0.612175094951 0.624452703387 0.306172868561} H24 54 1 1 {} {0.557539512948 0.580407466474 0.57734316468} H25 55 1 1 {} {0.540103573273 0.536497146173 0.477212096138} H26 56 1 1 {} {0.536710216482 0.625759361612 0.483657491196} H27 57 1 1 {} {0.592753231684 0.826745821494 0.453952722397} H28 58 1 1 {} {0.595749847551 0.781948186785 0.556199416296} H29 59 1 1 {} {0.561250336231 0.752397659394 0.468486925599} H30 60 1 1 {} {0.644851087699 0.752408684557 0.289488431489} H31 61 1 1 {} {0.689048932295 0.803782690747 0.500062303161} H32 62 1 1 {} {0.645734645815 0.417351802206 0.335363828355} H33 63 1 1 {} {0.67402347392 0.401618887751 0.487424198126} H34 64 1 1 {} {0.527537242557 0.289283088974 0.395258770423} H35 65 1 1 {} {0.56124984954 0.36446384516 0.282668031894} H36 66 1 1 {} {0.527079247349 0.416314289651 0.565609921501} H37 67 1 1 {} {0.547048714438 0.297506472278 0.568846044554} H38 68 1 1 {} {0.605637604723 0.433904587562 0.659225851278} H39 69 1 1 {} {0.626358757641 0.357378119335 0.657399136054} H40 70 1 1 {} {0.628769691968 0.269578850169 0.279621933969} H41 71 1 1 {} {0.613621250338 0.220012590077 0.364629441722} 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