#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 {} {0.369536180577 0.576001959146 0.411801539445} C1 1 1 14 {} {0.346370548592 0.549249078335 0.522125402218} Si1 2 1 14 {} {0.430882617562 0.585745592667 0.407424324951} Si2 3 1 8 {} {0.359529802799 0.605982208372 0.598481966675} O1 4 1 8 {} {0.291517603264 0.547561175286 0.515293677582} O2 5 1 6 {} {0.365244102968 0.464051020247 0.55709559712} C2 6 1 6 {} {0.459677248429 0.502905894768 0.393053413752} C3 7 1 8 {} {0.444007255085 0.621711791735 0.50552999441} O3 8 1 8 {} {0.443305434828 0.638536122735 0.325336514306} O4 9 1 14 {} {0.240981981972 0.552149450227 0.556589662058} Si3 10 1 7 {} {0.221304369841 0.473942405006 0.590782937886} N1 11 1 14 {} {0.198850816762 0.465607317636 0.698255461764} Si4 12 1 14 {} {0.221843119562 0.406232226559 0.515657974898} Si5 13 1 7 {} {0.215776819497 0.427553141366 0.40529432246} N2 14 1 7 {} {0.148392193188 0.504624994111 0.718402539208} N3 15 1 1 {} {0.359710524941 0.540159510831 0.359461578031} H1 16 1 1 {} {0.354090601517 0.624234801788 0.394708545888} H2 17 1 1 {} {0.389342130156 0.624342786432 0.588634627562} H3 18 1 1 {} {0.356601553805 0.425409120133 0.507699612809} H4 19 1 1 {} {0.349535970193 0.450184152751 0.620787277307} H5 20 1 1 {} {0.40155877246 0.462786278567 0.566962284775} H6 21 1 1 {} {0.495311672849 0.511959145569 0.389989231076} H7 22 1 1 {} {0.450982702447 0.47951466538 0.328281016059} H8 23 1 1 {} {0.453985146969 0.467737608699 0.448705024972} H9 24 1 1 {} {0.474816909533 0.635249873338 0.512957276937} H10 25 1 1 {} {0.474635449306 0.638848909409 0.309668615991} H11 26 1 1 {} {0.239243387124 0.59622679858 0.636884826695} H12 27 1 1 {} {0.212059436008 0.580146714512 0.485002446592} H13 28 1 1 {} {0.19214742482 0.392551837649 0.712520495213} H14 29 1 1 {} {0.23038740745 0.494844571882 0.764248441988} H15 30 1 1 {} {0.26511919673 0.369693638293 0.52152495701} H16 31 1 1 {} {0.184248061049 0.361636388396 0.542265493007} H17 32 1 1 {} {0.242765632509 0.442098084834 0.369211519272} H18 33 1 1 {} {0.187733766958 0.450895440599 0.38306239786} H19 34 1 1 {} {0.147625814387 0.554236596935 0.733375870819} H20 35 1 1 {} {0.120344905032 0.490876734865 0.684803255886} H21 36 1 6 {} {0.622443182285 0.617183789436 0.350983226369} C4 37 1 14 {} {0.58018554953 0.55478758024 0.38873509362} Si6 38 1 14 {} {0.61578727306 0.705294026337 0.387921935224} Si7 39 1 8 {} {0.532253848678 0.596748972841 0.383418381899} O5 40 1 8 {} {0.57896870191 0.490275567286 0.321519209214} O6 41 1 6 {} {0.589366542863 0.522213416804 0.503881513134} C5 42 1 6 {} {0.633648227987 0.72231821986 0.505076786463} C6 43 1 8 {} {0.560823770827 0.720657665413 0.376398633274} O7 44 1 8 {} {0.643293230349 0.754644729404 0.318017489343} O8 45 1 14 {} {0.57241086679 0.429380392023 0.248790406936} Si8 46 1 7 {} {0.585042152206 0.351415758121 0.291738202232} N4 47 1 14 {} {0.541204747513 0.294930971291 0.315070218434} Si9 48 1 14 {} {0.639407896362 0.325956327257 0.316966886626} Si10 49 1 7 {} {0.68059668859 0.372236269659 0.265730892335} N5 50 1 7 {} {0.517467794995 0.25199274519 0.228372688279} N6 51 1 1 {} {0.655669644502 0.598800090621 0.369726909106} H22 52 1 1 {} {0.62055287628 0.617526059382 0.277503603758} H23 53 1 1 {} {0.534554278822 0.645364332701 0.379144888454} H24 54 1 1 {} {0.621384109564 0.495499681258 0.506983057833} H25 55 1 1 {} {0.562961122589 0.486964102946 0.523583095161} H26 56 1 1 {} {0.590044366693 0.562914058439 0.553257286993} H27 57 1 1 {} {0.628407123332 0.775106908608 0.523241331185} H28 58 1 1 {} {0.669245633296 0.710901348846 0.514398823532} H29 59 1 1 {} {0.614694215656 0.69175485579 0.552848360177} H30 60 1 1 {} {0.550168966282 0.766378479013 0.373343180627} H31 61 1 1 {} {0.661180292733 0.790373099795 0.343007572524} H32 62 1 1 {} {0.524764226332 0.42752809908 0.220002726739} H33 63 1 1 {} {0.601654731913 0.445525055041 0.171316787529} H34 64 1 1 {} {0.561277874601 0.244304470082 0.376430797115} H35 65 1 1 {} {0.504467516391 0.333121070649 0.358545475115} H36 66 1 1 {} {0.648795890332 0.332094739737 0.414445695949} H37 67 1 1 {} {0.643322987315 0.25455080582 0.288846334186} H38 68 1 1 {} {0.693833502766 0.412980719037 0.29617363508} H39 69 1 1 {} {0.683524327606 0.375141930955 0.198479893477} H40 70 1 1 {} {0.495223227063 0.275113067252 0.187381075523} H41 71 1 1 {} {0.53482838085 0.216468825281 0.194389406123} 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