#MD System 2.0 @Title neb0_image08 @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 {} {0.37075431865 0.581700581101 0.411591154032} C1 1 1 14 {} {0.348323327554 0.554801511309 0.521988548732} Si1 2 1 14 {} {0.432506398765 0.589145985102 0.40726472886} Si2 3 1 8 {} {0.361610767848 0.611530002528 0.597974602433} O1 4 1 8 {} {0.29342879879 0.552803769079 0.514925012417} O2 5 1 6 {} {0.367348128544 0.46954829644 0.556609920076} C2 6 1 6 {} {0.458783931225 0.504517539603 0.392631631552} C3 7 1 8 {} {0.446057222444 0.625441681183 0.505518867361} O3 8 1 8 {} {0.44471864716 0.642770658376 0.325361428995} O4 9 1 14 {} {0.243099378806 0.557655862273 0.55613971159} Si3 10 1 7 {} {0.223443004314 0.479420896889 0.590290806041} N1 11 1 14 {} {0.201068180136 0.47115241582 0.697805810354} Si4 12 1 14 {} {0.224039506686 0.411740836165 0.515199292179} Si5 13 1 7 {} {0.217945446727 0.432727152739 0.404644844875} N2 14 1 7 {} {0.150610938528 0.510156985215 0.718104488375} N3 15 1 1 {} {0.361643360505 0.545680783941 0.359029278117} H1 16 1 1 {} {0.355794771247 0.630391313981 0.394192915705} H2 17 1 1 {} {0.391459580782 0.629782478283 0.588072044447} H3 18 1 1 {} {0.358752684199 0.430922947466 0.507234158457} H4 19 1 1 {} {0.351612274682 0.4557562614 0.620284651352} H5 20 1 1 {} {0.403663776941 0.468297434877 0.56663618692} H6 21 1 1 {} {0.494774914904 0.512093095776 0.390487371108} H7 22 1 1 {} {0.448922316185 0.481009267738 0.329486936247} H8 23 1 1 {} {0.451210210145 0.469524285881 0.446988206786} H9 24 1 1 {} {0.476862157076 0.639577279181 0.512482184253} H10 25 1 1 {} {0.475641472474 0.642984016903 0.306120364761} H11 26 1 1 {} {0.241429180193 0.601779344733 0.636340342296} H12 27 1 1 {} {0.214244783456 0.585653847422 0.48453011916} H13 28 1 1 {} {0.194365244356 0.398123229527 0.712085011566} H14 29 1 1 {} {0.232597737891 0.500346166575 0.763792744662} H15 30 1 1 {} {0.267263621278 0.37516916164 0.521047029818} H16 31 1 1 {} {0.186417426627 0.367206352659 0.54180030909} H17 32 1 1 {} {0.244946117671 0.447626177771 0.368816613086} H18 33 1 1 {} {0.189978236405 0.456428857266 0.382675622083} H19 34 1 1 {} {0.149838618951 0.559795786982 0.732850147769} H20 35 1 1 {} {0.122605696194 0.496425569235 0.684386744161} H21 36 1 6 {} {0.622778929083 0.611849315608 0.351254935647} C4 37 1 14 {} {0.578528747698 0.551182324643 0.389292235418} Si6 38 1 14 {} {0.614686022873 0.700254942722 0.388321094112} Si7 39 1 8 {} {0.531845162529 0.596329442985 0.384331113061} O5 40 1 8 {} {0.576956289665 0.486232087888 0.322211866198} O6 41 1 6 {} {0.587829792146 0.516868967978 0.503965661742} C5 42 1 6 {} {0.631557957661 0.716920381461 0.505854965784} C6 43 1 8 {} {0.559828838581 0.717305087029 0.376798600724} O7 44 1 8 {} {0.641191303971 0.750069462496 0.317975441099} O8 45 1 14 {} {0.570334176726 0.424771705369 0.250081164448} Si8 46 1 7 {} {0.582744035806 0.346274364721 0.29244052044} N4 47 1 14 {} {0.539087954297 0.289700462759 0.315743914346} Si9 48 1 14 {} {0.637286270136 0.320643786968 0.317463859627} Si10 49 1 7 {} {0.678315360609 0.366828226278 0.2662479887} N5 50 1 7 {} {0.515307030466 0.246555692079 0.228639344545} N6 51 1 1 {} {0.656915577875 0.594826503983 0.368396497897} H22 52 1 1 {} {0.619501849643 0.612058048092 0.277618376431} H23 53 1 1 {} {0.538623818797 0.64534827397 0.379772514086} H24 54 1 1 {} {0.619605922865 0.489224776803 0.509318241676} H25 55 1 1 {} {0.560939560645 0.481996983014 0.522657176392} H26 56 1 1 {} {0.58810953373 0.557291786022 0.553831543489} H27 57 1 1 {} {0.626215375901 0.769678313239 0.523775405906} H28 58 1 1 {} {0.667091788555 0.705398447459 0.514994435971} H29 59 1 1 {} {0.612498016937 0.686226152105 0.553354278314} H30 60 1 1 {} {0.548210030029 0.762545535499 0.37347499366} H31 61 1 1 {} {0.65915224835 0.785395475893 0.343308735918} H32 62 1 1 {} {0.522701891964 0.422221093825 0.220781512598} H33 63 1 1 {} {0.599455146948 0.440072973381 0.171875761898} H34 64 1 1 {} {0.559076332704 0.238860799027 0.376881051508} H35 65 1 1 {} {0.502257031621 0.327699163009 0.358995628955} H36 66 1 1 {} {0.64662025182 0.326671419643 0.414950304974} H37 67 1 1 {} {0.641162598418 0.24918787568 0.289272436463} H38 68 1 1 {} {0.691770600536 0.407500365795 0.296562695388} H39 69 1 1 {} {0.681344320976 0.369705292464 0.198879572435} H40 70 1 1 {} {0.492975129227 0.269548771744 0.187916386709} H41 71 1 1 {} {0.532655255653 0.211004127394 0.194921494289} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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