#MD System 2.0 @Title neb0_image07 @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 {} {0.220006648093 0.526131436825 0.333942181767} C1 1 1 14 {} {0.273682440782 0.488875865449 0.292261360765} Si1 2 1 14 {} {0.173511631708 0.534604777836 0.2534076931} Si2 3 1 8 {} {0.286434473195 0.520177030925 0.193382379058} O1 4 1 8 {} {0.312101053687 0.511576922081 0.364427869269} O2 5 1 6 {} {0.272276291868 0.395541137063 0.286130178019} C2 6 1 6 {} {0.142148051272 0.454815537949 0.235651227108} C3 7 1 8 {} {0.197943345145 0.561452835649 0.159693773025} O3 8 1 8 {} {0.138035170604 0.595066456095 0.28172128551} O4 9 1 14 {} {0.363856424704 0.537711804595 0.36740562355} Si3 10 1 7 {} {0.396461856188 0.471475184095 0.406095010492} N1 11 1 14 {} {0.447007423597 0.470404977885 0.35132030837} Si4 12 1 14 {} {0.378909389909 0.419650725455 0.49320782786} Si5 13 1 7 {} {0.350467031532 0.45818893504 0.579548891915} N2 14 1 7 {} {0.454134788668 0.557628107949 0.333410193288} N3 15 1 1 {} {0.208748905365 0.497509037826 0.392630748713} H1 16 1 1 {} {0.228496918707 0.576746736613 0.358086536949} H2 17 1 1 {} {0.26135665657 0.542159134792 0.163214739436} H3 18 1 1 {} {0.267039613648 0.372313646153 0.351835021799} H4 19 1 1 {} {0.30401498377 0.376454612807 0.259420997119} H5 20 1 1 {} {0.24555698257 0.378625305573 0.241239352814} H6 21 1 1 {} {0.115654653741 0.461101982897 0.185694791507} H7 22 1 1 {} {0.12658236332 0.437442806031 0.297977864155} H8 23 1 1 {} {0.164400114953 0.414741426752 0.212347017734} H9 24 1 1 {} {0.179194587367 0.583782750998 0.11602154872} H10 25 1 1 {} {0.109667424383 0.58204558618 0.307481436894} H11 26 1 1 {} {0.379851740415 0.557560449353 0.277725548272} H12 27 1 1 {} {0.365159025205 0.59637327545 0.429809449296} H13 28 1 1 {} {0.478487837442 0.433421062255 0.411462844626} H14 29 1 1 {} {0.452280336944 0.439285893501 0.260790658324} H15 30 1 1 {} {0.3475049603 0.369111155281 0.455661842707} H16 31 1 1 {} {0.419334305282 0.38678618553 0.532162402583} H17 32 1 1 {} {0.319153407953 0.475479203699 0.568231360905} H18 33 1 1 {} {0.366348328381 0.489335381303 0.622728766258} H19 34 1 1 {} {0.487224902016 0.56487528077 0.319414120039} H20 35 1 1 {} {0.44548025243 0.583721144551 0.390825062636} H21 36 1 6 {} {0.648519685566 0.641956094468 0.478503620839} C4 37 1 14 {} {0.608271488351 0.578678841815 0.43925787204} Si6 38 1 14 {} {0.639503809844 0.727798237615 0.432644238413} Si7 39 1 8 {} {0.594323010849 0.586969576913 0.333363925139} O5 40 1 8 {} {0.62529893385 0.50172526044 0.454957405769} O6 41 1 6 {} {0.558072527453 0.58261440533 0.508897856104} C5 42 1 6 {} {0.590409618222 0.776425020831 0.477884014702} C6 43 1 8 {} {0.633613425665 0.716212222507 0.322491437164} O7 44 1 8 {} {0.686015194571 0.772563439046 0.446482610242} O8 45 1 14 {} {0.631775472495 0.422599248539 0.426860831307} Si8 46 1 7 {} {0.585627559401 0.371794784492 0.445388651885} N4 47 1 14 {} {0.565818809944 0.32186867815 0.355863825165} Si9 48 1 14 {} {0.561134175626 0.367245396477 0.551618723629} Si10 49 1 7 {} {0.596842901108 0.386332211943 0.637426661926} N5 50 1 7 {} {0.600354071214 0.258834124337 0.31780733099} N6 51 1 1 {} {0.640177538293 0.6426978859 0.550216509425} H22 52 1 1 {} {0.683778264526 0.628392908446 0.469566654339} H23 53 1 1 {} {0.607456753342 0.624646187912 0.301738793797} H24 54 1 1 {} {0.559629413794 0.585509186067 0.580644784988} H25 55 1 1 {} {0.546848941688 0.533771725196 0.487335409198} H26 56 1 1 {} {0.535265113026 0.622959700386 0.482820964092} H27 57 1 1 {} {0.589386040142 0.827003918399 0.448418342591} H28 58 1 1 {} {0.592154385902 0.782614559627 0.550845163087} H29 59 1 1 {} {0.558031302771 0.752842661817 0.462767800868} H30 60 1 1 {} {0.640992706903 0.753089050271 0.283225398519} H31 61 1 1 {} {0.685829741812 0.805162617783 0.494128697137} H32 62 1 1 {} {0.642248479614 0.417788280603 0.329880222632} H33 63 1 1 {} {0.670766045431 0.401611446417 0.482027886581} H34 64 1 1 {} {0.524159948189 0.289858065842 0.389451149397} H35 65 1 1 {} {0.557699628379 0.365015855809 0.277014576749} H36 66 1 1 {} {0.524136333802 0.41706289855 0.561578174106} H37 67 1 1 {} {0.543697187517 0.298019709713 0.563269672913} H38 68 1 1 {} {0.602383846224 0.435026168191 0.6540990552} H39 69 1 1 {} {0.623927426484 0.357451985924 0.652388218861} H40 70 1 1 {} {0.625096739902 0.270171716357 0.274044485032} H41 71 1 1 {} {0.609916993272 0.22081504159 0.358529146448} 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