#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 {} {0.20277749603 0.529210144557 0.305049079654} C1 1 1 14 {} {0.256562220919 0.491616277245 0.263279255653} Si1 2 1 14 {} {0.155903004112 0.537419977422 0.224463450032} Si2 3 1 8 {} {0.2687333771 0.52358202699 0.16475378519} O1 4 1 8 {} {0.296852080437 0.511781066749 0.333332549276} O2 5 1 6 {} {0.254234781175 0.398497795773 0.257079093959} C2 6 1 6 {} {0.124080418744 0.45809639163 0.207028341837} C3 7 1 8 {} {0.180066836018 0.563191643242 0.129660905451} O3 8 1 8 {} {0.120696504403 0.598493435771 0.253281072918} O4 9 1 14 {} {0.348071618217 0.540960244787 0.339921670713} Si3 10 1 7 {} {0.382936315777 0.478906559565 0.382076281983} N1 11 1 14 {} {0.437247272875 0.476820387607 0.341066623558} Si4 12 1 14 {} {0.362448484665 0.424464384881 0.464005216674} Si5 13 1 7 {} {0.33295720077 0.461510076168 0.549623279167} N2 14 1 7 {} {0.459800438416 0.55607822124 0.34715134708} N3 15 1 1 {} {0.19099686279 0.501087197395 0.363714691664} H1 16 1 1 {} {0.210666440444 0.580144738271 0.328684687316} H2 17 1 1 {} {0.243566111859 0.545187628582 0.134756857825} H3 18 1 1 {} {0.248982239196 0.375312751991 0.322849803827} H4 19 1 1 {} {0.285949641305 0.379139676033 0.230359046894} H5 20 1 1 {} {0.227437133861 0.381544213061 0.212245894327} H6 21 1 1 {} {0.0976899411786 0.464744034466 0.156919707325} H7 22 1 1 {} {0.108379884614 0.440749801024 0.269195975322} H8 23 1 1 {} {0.146170551712 0.417889809708 0.18347510083} H9 24 1 1 {} {0.161535379181 0.586897936117 0.0872889002085} H10 25 1 1 {} {0.0923520191715 0.585620341679 0.278032916246} H11 26 1 1 {} {0.364732559678 0.56183764602 0.250246370996} H12 27 1 1 {} {0.346474325851 0.600141596833 0.400970438511} H13 28 1 1 {} {0.461053714386 0.423613349394 0.392998393903} H14 29 1 1 {} {0.439170160119 0.459619052688 0.244348342223} H15 30 1 1 {} {0.331081277564 0.375109871736 0.423311280726} H16 31 1 1 {} {0.401948047881 0.389804975864 0.50337692916} H17 32 1 1 {} {0.301231948214 0.477706364616 0.537894402051} H18 33 1 1 {} {0.348511497562 0.492643888466 0.593183639061} H19 34 1 1 {} {0.482260473447 0.571280762876 0.301232975701} H20 35 1 1 {} {0.465622946977 0.578757097765 0.407150068528} H21 36 1 6 {} {0.65774559235 0.637375484157 0.507090082607} C4 37 1 14 {} {0.618348031124 0.573046055984 0.45996611551} Si6 38 1 14 {} {0.655355707203 0.724027747157 0.461749601895} Si7 39 1 8 {} {0.615980949694 0.580926539262 0.350358918507} O5 40 1 8 {} {0.63857165148 0.498576521607 0.484562528544} O6 41 1 6 {} {0.561015539687 0.578761640214 0.508985984998} C5 42 1 6 {} {0.60759978635 0.77428077828 0.506190745948} C6 43 1 8 {} {0.652492850615 0.712199154454 0.351242159684} O7 44 1 8 {} {0.702636240899 0.766349653236 0.477330309351} O8 45 1 14 {} {0.648736867221 0.420700447643 0.45634807365} Si8 46 1 7 {} {0.603253143415 0.368521484254 0.473800616379} N4 47 1 14 {} {0.583578718297 0.319435618537 0.384876414608} Si9 48 1 14 {} {0.578371643911 0.363989093328 0.580274684287} Si10 49 1 7 {} {0.613413916149 0.383473330134 0.66749514568} N5 50 1 7 {} {0.618133850838 0.256522515242 0.347654747404} N6 51 1 1 {} {0.653950770672 0.638981547006 0.580306828155} H22 52 1 1 {} {0.691817165669 0.61900288228 0.493973446166} H23 53 1 1 {} {0.628331083265 0.623076771213 0.327899205387} H24 54 1 1 {} {0.560714219945 0.569391376358 0.581257320442} H25 55 1 1 {} {0.539024091788 0.541499576606 0.477416648844} H26 56 1 1 {} {0.546304622963 0.628529760948 0.497346395853} H27 57 1 1 {} {0.606759940387 0.824688609303 0.477296234671} H28 58 1 1 {} {0.610050886595 0.779606820804 0.579028299229} H29 59 1 1 {} {0.575450229418 0.750214339385 0.491929178848} H30 60 1 1 {} {0.659754672032 0.750023334559 0.313235307955} H31 61 1 1 {} {0.703010994334 0.80052556502 0.523367362776} H32 62 1 1 {} {0.660202302632 0.415494389458 0.359674950436} H33 63 1 1 {} {0.687821581741 0.399687414164 0.511208510586} H34 64 1 1 {} {0.541557765077 0.287824551849 0.418207080932} H35 65 1 1 {} {0.575382719292 0.362207882694 0.305632764449} H36 66 1 1 {} {0.540759401302 0.412518197214 0.586759212361} H37 67 1 1 {} {0.561954150328 0.294243349338 0.591437367226} H38 68 1 1 {} {0.619904862939 0.43211736613 0.681256860861} H39 69 1 1 {} {0.640620414557 0.354719392122 0.680647194978} H40 70 1 1 {} {0.642504461232 0.267262070328 0.302451305859} H41 71 1 1 {} {0.627385837339 0.218040512623 0.387542285627} 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