#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 {} {0.217553462374 0.526411744483 0.329344650185} C1 1 1 14 {} {0.271167283788 0.488900763173 0.287445810144} Si1 2 1 14 {} {0.170963397238 0.534939079132 0.248937191987} Si2 3 1 8 {} {0.283772849633 0.519229227792 0.187910561513} O1 4 1 8 {} {0.309586576737 0.512409953701 0.359561277048} O2 5 1 6 {} {0.269793691459 0.39560156515 0.282486266691} C2 6 1 6 {} {0.139542710689 0.455140121712 0.230918563299} C3 7 1 8 {} {0.195498766264 0.562238675595 0.155984789936} O3 8 1 8 {} {0.135518406123 0.594800574167 0.277802618368} O4 9 1 14 {} {0.361773621729 0.539234989329 0.363542060812} Si3 10 1 7 {} {0.394523792407 0.472444885498 0.401672837329} N1 11 1 14 {} {0.444175626474 0.471681294431 0.343796529489} Si4 12 1 14 {} {0.376324291903 0.420419625385 0.489967339267} Si5 13 1 7 {} {0.347372998689 0.458841371204 0.576387909283} N2 14 1 7 {} {0.449981102169 0.563217645076 0.323131330655} N3 15 1 1 {} {0.20621936597 0.498049314733 0.388184510323} H1 16 1 1 {} {0.225909223605 0.577195771898 0.35291535231} H2 17 1 1 {} {0.258765581565 0.542591283837 0.158719324879} H3 18 1 1 {} {0.264445110042 0.372344487872 0.348096183371} H4 19 1 1 {} {0.301478708518 0.376495447687 0.255565496183} H5 20 1 1 {} {0.24300589272 0.379355264484 0.237403984405} H6 21 1 1 {} {0.112902035662 0.461709775387 0.181238234686} H7 22 1 1 {} {0.12381198092 0.438083875991 0.293298233435} H8 23 1 1 {} {0.161343156434 0.414456903869 0.207649235072} H9 24 1 1 {} {0.176498370344 0.584392185151 0.111878661399} H10 25 1 1 {} {0.106776844053 0.581408640446 0.303931588177} H11 26 1 1 {} {0.378111848876 0.558672643337 0.273832288427} H12 27 1 1 {} {0.362366869437 0.597759975367 0.426694972019} H13 28 1 1 {} {0.476250071774 0.433131411828 0.408179636431} H14 29 1 1 {} {0.44915550487 0.437243696937 0.25400135312} H15 30 1 1 {} {0.344675125472 0.369365797866 0.450958618186} H16 31 1 1 {} {0.417058761107 0.387224688382 0.528313286615} H17 32 1 1 {} {0.316489453677 0.47593247793 0.563908241369} H18 33 1 1 {} {0.363374521275 0.49053192014 0.618924357177} H19 34 1 1 {} {0.485950879375 0.56014413603 0.31208811788} H20 35 1 1 {} {0.439425063694 0.584884085517 0.390136820859} H21 36 1 6 {} {0.652108680699 0.642520070323 0.48274470373} C4 37 1 14 {} {0.611077785848 0.578950927201 0.446528948511} Si6 38 1 14 {} {0.642054771471 0.728004085021 0.436186507145} Si7 39 1 8 {} {0.595876846694 0.586721369938 0.338166002179} O5 40 1 8 {} {0.628436658708 0.501103103476 0.4586149282} O6 41 1 6 {} {0.560727369386 0.581991646377 0.515756155209} C5 42 1 6 {} {0.592658347551 0.776188446921 0.481295442384} C6 43 1 8 {} {0.637933140997 0.714847091475 0.325990080778} O7 44 1 8 {} {0.688507273665 0.772301412158 0.451934217023} O8 45 1 14 {} {0.63417650274 0.421648933503 0.431301510825} Si8 46 1 7 {} {0.588052306131 0.371574340187 0.45085855396} N4 47 1 14 {} {0.56860796132 0.320891855326 0.360637873707} Si9 48 1 14 {} {0.562849838634 0.367132544855 0.555023630483} Si10 49 1 7 {} {0.59903332634 0.386142091805 0.642131682133} N5 50 1 7 {} {0.602871437029 0.258793095087 0.321956115862} N6 51 1 1 {} {0.641812668391 0.641778202972 0.554269407011} H22 52 1 1 {} {0.687512017112 0.628116692893 0.473129014733} H23 53 1 1 {} {0.610268708871 0.623969181898 0.305116487643} H24 54 1 1 {} {0.563851111702 0.587014107158 0.590381468205} H25 55 1 1 {} {0.551244130236 0.530234322918 0.490918911791} H26 56 1 1 {} {0.538683768569 0.623563133631 0.488269245733} H27 57 1 1 {} {0.591842230451 0.82681955596 0.452202705419} H28 58 1 1 {} {0.594929543123 0.782197667317 0.554312676358} H29 59 1 1 {} {0.560094498832 0.752785325233 0.466991418777} H30 60 1 1 {} {0.643966365362 0.752435630052 0.287366866792} H31 61 1 1 {} {0.688049189482 0.804504830494 0.498607084235} H32 62 1 1 {} {0.644796181605 0.417503073149 0.333787246542} H33 63 1 1 {} {0.67362247051 0.401508097598 0.486491635658} H34 64 1 1 {} {0.52655439412 0.289475085837 0.394082969435} H35 65 1 1 {} {0.560306873199 0.365080933143 0.280869036544} H36 66 1 1 {} {0.526521290383 0.415856984469 0.566065042514} H37 67 1 1 {} {0.546201766805 0.297521647387 0.567690456017} H38 68 1 1 {} {0.604595691004 0.435741956715 0.658673917851} H39 69 1 1 {} {0.626607118323 0.35628681 0.656913365144} H40 70 1 1 {} {0.627340342249 0.269435006203 0.278220096253} H41 71 1 1 {} {0.612342382607 0.220178511769 0.361514043763} 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