#MD System 2.0 @Title neb0_image01 @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 {} {0.202574595959 0.529347010914 0.305334322829} C1 1 1 14 {} {0.256354702361 0.49192947771 0.26365329138} Si1 2 1 14 {} {0.155888835334 0.537532254844 0.224475638164} Si2 3 1 8 {} {0.26876620265 0.524409911524 0.165383982561} O1 4 1 8 {} {0.29673351799 0.511851498237 0.333956762327} O2 5 1 6 {} {0.254390721106 0.39878490049 0.257004617253} C2 6 1 6 {} {0.124175928933 0.458022446911 0.206942919971} C3 7 1 8 {} {0.180246652882 0.563086930342 0.129973625954} O3 8 1 8 {} {0.120730418445 0.598487922367 0.252592652299} O4 9 1 14 {} {0.348022428417 0.541446025617 0.339786680724} Si3 10 1 7 {} {0.382872624314 0.478782063008 0.381864131915} N1 11 1 14 {} {0.437246246204 0.476782196458 0.340919724724} Si4 12 1 14 {} {0.362409721147 0.424251177958 0.464272086964} Si5 13 1 7 {} {0.332961064399 0.461718735171 0.549621982602} N2 14 1 7 {} {0.459351974654 0.556353165552 0.347360351071} N3 15 1 1 {} {0.190874895913 0.500735472559 0.363716358694} H1 16 1 1 {} {0.210558728736 0.580218721946 0.329186387876} H2 17 1 1 {} {0.243551581749 0.545540407199 0.134737278073} H3 18 1 1 {} {0.249204017421 0.375536646976 0.322604417686} H4 19 1 1 {} {0.286068767322 0.379534009179 0.23039989876} H5 20 1 1 {} {0.227587127576 0.381914055725 0.212324847553} H6 21 1 1 {} {0.0976966015773 0.464514746791 0.156843307261} H7 22 1 1 {} {0.108562329592 0.440549755589 0.269198738466} H8 23 1 1 {} {0.146443884537 0.418020708869 0.183393742947} H9 24 1 1 {} {0.16168777612 0.586735468128 0.0873570638933} H10 25 1 1 {} {0.0921474404425 0.585981948079 0.277984907128} H11 26 1 1 {} {0.364435675367 0.561623524949 0.250385103613} H12 27 1 1 {} {0.346693236097 0.600034977235 0.400765385925} H13 28 1 1 {} {0.460977027492 0.424062373122 0.392927962096} H14 29 1 1 {} {0.439154708968 0.459509080649 0.244227131081} H15 30 1 1 {} {0.33098743265 0.375226762979 0.423726005011} H16 31 1 1 {} {0.401873824214 0.389874005909 0.503335266936} H17 32 1 1 {} {0.301386744503 0.478202752187 0.538414420245} H18 33 1 1 {} {0.348776710504 0.492594395278 0.593407716111} H19 34 1 1 {} {0.482106604751 0.57149631391 0.301106411681} H20 35 1 1 {} {0.465333751981 0.578877463083 0.406772305477} H21 36 1 6 {} {0.657680752264 0.637049640052 0.506991754358} C4 37 1 14 {} {0.618230993594 0.572951160906 0.459552727042} Si6 38 1 14 {} {0.655345895433 0.723548014625 0.461830405415} Si7 39 1 8 {} {0.616120851702 0.580991468909 0.349771043567} O5 40 1 8 {} {0.638437045815 0.498425233668 0.484102566897} O6 41 1 6 {} {0.560985845287 0.578821180573 0.508711419984} C5 42 1 6 {} {0.607697376699 0.774003427491 0.506705564078} C6 43 1 8 {} {0.652176034709 0.712238391083 0.351284690035} O7 44 1 8 {} {0.702617548681 0.765633653597 0.477451927695} O8 45 1 14 {} {0.648677085583 0.420383368778 0.456025905056} Si8 46 1 7 {} {0.603187562495 0.368297768513 0.473781667955} N4 47 1 14 {} {0.58353333472 0.319108091048 0.385264817655} Si9 48 1 14 {} {0.578474828257 0.364366495142 0.580000938933} Si10 49 1 7 {} {0.613514757447 0.383315810817 0.667356289366} N5 50 1 7 {} {0.618401611186 0.256354704742 0.347601039372} N6 51 1 1 {} {0.653775534012 0.638464374949 0.580096402537} H22 52 1 1 {} {0.691818006412 0.618671681251 0.494267383158} H23 53 1 1 {} {0.628226932535 0.623340472848 0.327535075098} H24 54 1 1 {} {0.560754084396 0.569252125291 0.580962345557} H25 55 1 1 {} {0.538925060984 0.54182614512 0.477037309291} H26 56 1 1 {} {0.546378289037 0.628601202427 0.497474167667} H27 57 1 1 {} {0.606886742597 0.824483877697 0.477377572053} H28 58 1 1 {} {0.609852822954 0.779492114235 0.579740628603} H29 59 1 1 {} {0.57554118643 0.749937463757 0.491935436222} H30 60 1 1 {} {0.659407792733 0.750046046476 0.313390191801} H31 61 1 1 {} {0.703174340235 0.800085815226 0.522756540834} H32 62 1 1 {} {0.660078883626 0.415262086882 0.359135640774} H33 63 1 1 {} {0.687861934285 0.399694537033 0.510880559109} H34 64 1 1 {} {0.541724833125 0.287332075061 0.4179256751} H35 65 1 1 {} {0.575393994808 0.361807718683 0.305490401936} H36 66 1 1 {} {0.540965143207 0.413334475927 0.586566088724} H37 67 1 1 {} {0.561597792102 0.294620549135 0.591587471523} H38 68 1 1 {} {0.620096224005 0.432133212011 0.681512928749} H39 69 1 1 {} {0.640702413078 0.354556640341 0.680457010413} H40 70 1 1 {} {0.642828413164 0.267235684456 0.30297218639} H41 71 1 1 {} {0.627771411544 0.218067054599 0.388316952799} 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