#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 {} {0.221810464482 0.525738840823 0.337380249949} C1 1 1 14 {} {0.274521972713 0.48791470441 0.295327880334} Si1 2 1 14 {} {0.1755261628 0.534592221841 0.257490924104} Si2 3 1 8 {} {0.288276919176 0.517745740022 0.196366184325} O1 4 1 8 {} {0.309758935657 0.513886517307 0.372042884726} O2 5 1 6 {} {0.274776912713 0.39484195946 0.290841207056} C2 6 1 6 {} {0.14467758295 0.454465745066 0.239509903566} C3 7 1 8 {} {0.200191519977 0.562172765546 0.164157078957} O3 8 1 8 {} {0.139890749288 0.594466800246 0.286974720762} O4 9 1 14 {} {0.362076017395 0.535300255491 0.370642188774} Si3 10 1 7 {} {0.39364883709 0.466081761309 0.402708244541} N1 11 1 14 {} {0.442878802801 0.467944216348 0.340480311358} Si4 12 1 14 {} {0.380004331603 0.417280216088 0.495396198098} Si5 13 1 7 {} {0.353091847689 0.457767908185 0.581656170031} N2 14 1 7 {} {0.44348916916 0.553128698692 0.31215291432} N3 15 1 1 {} {0.211187950266 0.497266503019 0.396550434058} H1 16 1 1 {} {0.231303168038 0.575992682246 0.361273777803} H2 17 1 1 {} {0.264037266019 0.54148663522 0.166464402455} H3 18 1 1 {} {0.269465239319 0.3716631028 0.356410652075} H4 19 1 1 {} {0.306530551128 0.375879550599 0.264185984683} H5 20 1 1 {} {0.248210658649 0.377606503945 0.245687252772} H6 21 1 1 {} {0.118152977747 0.460662448007 0.189525510125} H7 22 1 1 {} {0.129149229884 0.437516169843 0.302164381996} H8 23 1 1 {} {0.166906336362 0.41419294642 0.216567634771} H9 24 1 1 {} {0.18130431707 0.583830396282 0.120293193874} H10 25 1 1 {} {0.111859496682 0.5803341266 0.312829264247} H11 26 1 1 {} {0.37559964841 0.555926447995 0.279484434172} H12 27 1 1 {} {0.368575357439 0.593252601653 0.432572268403} H13 28 1 1 {} {0.48097472432 0.449723514962 0.399169187305} H14 29 1 1 {} {0.446488915817 0.421624343685 0.25939431642} H15 30 1 1 {} {0.348730651239 0.364920596298 0.465705495671} H16 31 1 1 {} {0.420842385963 0.387320215123 0.534641290941} H17 32 1 1 {} {0.321370452794 0.474615155058 0.572881929154} H18 33 1 1 {} {0.368932911851 0.487990664946 0.626133521801} H19 34 1 1 {} {0.476662867643 0.572283336079 0.316484741404} H20 35 1 1 {} {0.422598656581 0.588292182163 0.335995240226} H21 36 1 6 {} {0.654519801663 0.645277304402 0.474969267482} C4 37 1 14 {} {0.612541377509 0.578486002509 0.442876912366} Si6 38 1 14 {} {0.640196875194 0.730088527181 0.427864450306} Si7 39 1 8 {} {0.588226429665 0.589877241065 0.343065517416} O5 40 1 8 {} {0.631161622896 0.501403480535 0.45111911441} O6 41 1 6 {} {0.566033162839 0.581818901757 0.526380082203} C5 42 1 6 {} {0.589287781568 0.775335307383 0.473398968024} C6 43 1 8 {} {0.632687346896 0.717650078582 0.31868062088} O7 44 1 8 {} {0.683864641254 0.780730047292 0.438432894461} O8 45 1 14 {} {0.631458312657 0.422499829091 0.423790058395} Si8 46 1 7 {} {0.583500312306 0.37374879453 0.440282098681} N4 47 1 14 {} {0.563508350803 0.323420648413 0.353157541178} Si9 48 1 14 {} {0.55939710985 0.367691373844 0.548372501855} Si10 49 1 7 {} {0.595546060404 0.386136970622 0.634597372772} N5 50 1 7 {} {0.597367013462 0.259802633875 0.313467436835} N6 51 1 1 {} {0.64756110289 0.647377272296 0.547297181526} H22 52 1 1 {} {0.690804458724 0.639088863256 0.471369136605} H23 53 1 1 {} {0.601129840299 0.623682983403 0.303567473553} H24 54 1 1 {} {0.574895559394 0.598567134114 0.592790397853} H25 55 1 1 {} {0.554806637038 0.527383125006 0.531900337772} H26 56 1 1 {} {0.537703612214 0.60869131175 0.497846006633} H27 57 1 1 {} {0.587610639961 0.825880689402 0.443840087275} H28 58 1 1 {} {0.59010618247 0.782694597759 0.546083554369} H29 59 1 1 {} {0.556917929744 0.752064510427 0.457986436837} H30 60 1 1 {} {0.638032967997 0.753946467509 0.277153859277} H31 61 1 1 {} {0.684204301847 0.809481427994 0.49028164978} H32 62 1 1 {} {0.639944935845 0.416502607958 0.325599660201} H33 63 1 1 {} {0.669342857689 0.397625531705 0.477273349556} H34 64 1 1 {} {0.521759296807 0.290418689631 0.385433231673} H35 65 1 1 {} {0.554978325411 0.365748892565 0.272730040237} H36 66 1 1 {} {0.522473400194 0.416659698679 0.560115816427} H37 67 1 1 {} {0.54166197264 0.297945165727 0.558849533984} H38 68 1 1 {} {0.599953529277 0.434341547763 0.651102445724} H39 69 1 1 {} {0.622445730796 0.358464502979 0.648915641106} H40 70 1 1 {} {0.622071997038 0.270639665433 0.268710724494} H41 71 1 1 {} {0.606472373559 0.220422531019 0.352964547386} 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