#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 {} {0.223670429652 0.525339128724 0.339938167938} C1 1 1 14 {} {0.277202926769 0.488097697114 0.298058399817} Si1 2 1 14 {} {0.17725226604 0.533810629017 0.259067658285} Si2 3 1 8 {} {0.289981368497 0.519923630172 0.199657381234} O1 4 1 8 {} {0.315760216144 0.510690120586 0.370376495719} O2 5 1 6 {} {0.275806973392 0.394883565454 0.291681280988} C2 6 1 6 {} {0.145648508969 0.454147946065 0.241332091332} C3 7 1 8 {} {0.201772894432 0.560746716025 0.165336893827} O3 8 1 8 {} {0.141788484074 0.594215261307 0.287071174485} O4 9 1 14 {} {0.36768784599 0.537610323177 0.372657104361} Si3 10 1 7 {} {0.398860967433 0.470121583901 0.412897572759} N1 11 1 14 {} {0.447281239591 0.466054736852 0.350443013992} Si4 12 1 14 {} {0.382145441821 0.418981743984 0.500488882306} Si5 13 1 7 {} {0.353747349424 0.457627468 0.586450477443} N2 14 1 7 {} {0.444692926241 0.562171262569 0.322602110031} N3 15 1 1 {} {0.212242159882 0.496723198686 0.398526110407} H1 16 1 1 {} {0.23199302814 0.576108353717 0.363914506324} H2 17 1 1 {} {0.264884871267 0.541505238251 0.169234418772} H3 18 1 1 {} {0.270528665404 0.371648041505 0.357219450547} H4 19 1 1 {} {0.307453101034 0.375632371464 0.264987190138} H5 20 1 1 {} {0.249032660597 0.378120053171 0.246875422891} H6 21 1 1 {} {0.119121055419 0.460569604132 0.19138668244} H7 22 1 1 {} {0.130021886131 0.436722759449 0.303670269301} H8 23 1 1 {} {0.167818301848 0.413979631723 0.217936493414} H9 24 1 1 {} {0.182836832609 0.58291476959 0.121818928035} H10 25 1 1 {} {0.113348670838 0.581603380647 0.312785028186} H11 26 1 1 {} {0.383495357756 0.556854683563 0.283182148212} H12 27 1 1 {} {0.36858986847 0.596105849937 0.43567000948} H13 28 1 1 {} {0.481698168811 0.433701042366 0.416767393252} H14 29 1 1 {} {0.456318399969 0.436557467379 0.262229762554} H15 30 1 1 {} {0.350913747961 0.368379267894 0.460615233097} H16 31 1 1 {} {0.42307989005 0.386136101734 0.537728502341} H17 32 1 1 {} {0.32259540657 0.475028863044 0.573878416713} H18 33 1 1 {} {0.369870162642 0.488960656233 0.628862474723} H19 34 1 1 {} {0.487607365693 0.562393280204 0.320208831163} H20 35 1 1 {} {0.43245139989 0.584966822754 0.383888719484} H21 36 1 6 {} {0.64720577844 0.644105414815 0.472798204407} C4 37 1 14 {} {0.609148379879 0.581333338948 0.436897852981} Si6 38 1 14 {} {0.636152263749 0.729109002263 0.426541691968} Si7 39 1 8 {} {0.590441158928 0.587729799148 0.330142116432} O5 40 1 8 {} {0.621543803342 0.50153491435 0.448241496437} O6 41 1 6 {} {0.561433118873 0.588361428498 0.514337653217} C5 42 1 6 {} {0.586785733517 0.777119761707 0.471991404797} C6 43 1 8 {} {0.630730432905 0.716313109543 0.316639844604} O7 44 1 8 {} {0.682766434862 0.772778302573 0.441339910148} O8 45 1 14 {} {0.628110715259 0.422936426423 0.42182426326} Si8 46 1 7 {} {0.581795547304 0.371637495574 0.438696013228} N4 47 1 14 {} {0.562479398504 0.322432830662 0.351426400309} Si9 48 1 14 {} {0.557615206216 0.368079393841 0.547211202372} Si10 49 1 7 {} {0.593358761494 0.386751525638 0.631436652049} N5 50 1 7 {} {0.596846134409 0.259182624866 0.312044782366} N6 51 1 1 {} {0.635517821193 0.642524704668 0.543519670253} H22 52 1 1 {} {0.681941864965 0.628845025343 0.46347952605} H23 53 1 1 {} {0.603809274466 0.625075508841 0.295668284777} H24 54 1 1 {} {0.558526342093 0.588221008542 0.589183632001} H25 55 1 1 {} {0.560495511586 0.528408724793 0.490066595471} H26 56 1 1 {} {0.534589834066 0.622120499174 0.478698777898} H27 57 1 1 {} {0.585813977098 0.82771171834 0.442509180593} H28 58 1 1 {} {0.588601394345 0.783218642688 0.544916828243} H29 59 1 1 {} {0.554440996797 0.753592621492 0.456892048354} H30 60 1 1 {} {0.637496359622 0.753691450764 0.277804438994} H31 61 1 1 {} {0.682321942302 0.805638641796 0.488469072162} H32 62 1 1 {} {0.638729103968 0.418505147276 0.323530351003} H33 63 1 1 {} {0.667169390511 0.402759802176 0.476381285856} H34 64 1 1 {} {0.520541270155 0.290525614581 0.383866958513} H35 65 1 1 {} {0.554013581682 0.365715593439 0.271663055093} H36 66 1 1 {} {0.521039925595 0.417876518061 0.557934497588} H37 67 1 1 {} {0.539916105738 0.298366268933 0.557591862594} H38 68 1 1 {} {0.598731343294 0.435444649614 0.648051022059} H39 69 1 1 {} {0.62038421636 0.358016864686 0.646950265002} H40 70 1 1 {} {0.621541176838 0.270955089741 0.268595016225} H41 71 1 1 {} {0.606442714313 0.221650228233 0.353021544092} 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