#MD System 2.0 @Title neb0_image05 @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 {} {0.365660628681 0.565847199977 0.41245894259} C1 1 1 14 {} {0.342295457482 0.539146437029 0.523166160851} Si1 2 1 14 {} {0.427447270655 0.576459071536 0.408043158244} Si2 3 1 8 {} {0.355538892466 0.595921724589 0.599197943142} O1 4 1 8 {} {0.287464970139 0.537339210838 0.51619116716} O2 5 1 6 {} {0.361334427566 0.453941237726 0.557893938263} C2 6 1 6 {} {0.458559249191 0.496156303386 0.39343067645} C3 7 1 8 {} {0.440221568385 0.611726436748 0.50703556103} O3 8 1 8 {} {0.440262361736 0.628223180881 0.324846897802} O4 9 1 14 {} {0.23691458639 0.54177233142 0.55750238838} Si3 10 1 7 {} {0.217296068006 0.463824398155 0.591623655766} N1 11 1 14 {} {0.194810853239 0.455565478334 0.69893820203} Si4 12 1 14 {} {0.217841179931 0.396186881551 0.516548789439} Si5 13 1 7 {} {0.211791176261 0.41748295321 0.406224908261} N2 14 1 7 {} {0.144401704072 0.494552743617 0.719185292954} N3 15 1 1 {} {0.35565093343 0.530067088454 0.360185283058} H1 16 1 1 {} {0.350029415685 0.61415173374 0.395482499482} H2 17 1 1 {} {0.385385782074 0.614329853853 0.589560849848} H3 18 1 1 {} {0.352589445935 0.415377367881 0.5085257194} H4 19 1 1 {} {0.345596366825 0.440158172557 0.621575795227} H5 20 1 1 {} {0.397646041401 0.452740981998 0.567832719113} H6 21 1 1 {} {0.494355851136 0.505922016872 0.390264015684} H7 22 1 1 {} {0.448925048357 0.472099663495 0.330402100335} H8 23 1 1 {} {0.452363459655 0.460800060851 0.447903778894} H9 24 1 1 {} {0.470972448638 0.626131858736 0.513153947201} H10 25 1 1 {} {0.472158634134 0.630545792334 0.313555972044} H11 26 1 1 {} {0.235252840481 0.586128391598 0.637711422134} H12 27 1 1 {} {0.20811685529 0.570063671834 0.485793687181} H13 28 1 1 {} {0.188118769503 0.382430301636 0.713344849493} H14 29 1 1 {} {0.226370371321 0.484719131623 0.765109966523} H15 30 1 1 {} {0.2611538464 0.359597900269 0.522369435217} H16 31 1 1 {} {0.180268118727 0.351418700747 0.543145279499} H17 32 1 1 {} {0.238772922994 0.431969055104 0.370062494825} H18 33 1 1 {} {0.183751651039 0.440698817361 0.383923464105} H19 34 1 1 {} {0.143624204778 0.544141002172 0.734219661728} H20 35 1 1 {} {0.116363828155 0.480822587167 0.685650894441} H21 36 1 6 {} {0.625148925001 0.626858707591 0.350488758841} C4 37 1 14 {} {0.582271406835 0.564289226749 0.387956390642} Si6 38 1 14 {} {0.619551190717 0.715367149784 0.387011767994} Si7 39 1 8 {} {0.532026110208 0.600540736392 0.382482285598} O5 40 1 8 {} {0.582846122251 0.499886702475 0.320821448506} O6 41 1 6 {} {0.593099645511 0.532405752018 0.502787057403} C5 42 1 6 {} {0.637662562343 0.732390540984 0.504194342702} C6 43 1 8 {} {0.564637245133 0.730149229208 0.375456686258} O7 44 1 8 {} {0.647344870087 0.764631644121 0.317190238423} O8 45 1 14 {} {0.576388231306 0.43951373875 0.247819435759} Si8 46 1 7 {} {0.588932159308 0.361365992856 0.290882539051} N4 47 1 14 {} {0.545314512096 0.305119081264 0.314487280658} Si9 48 1 14 {} {0.643500224714 0.336022898942 0.316185894564} Si10 49 1 7 {} {0.68458366677 0.382182033682 0.265011573755} N5 50 1 7 {} {0.521321454067 0.261902018115 0.227443614527} N6 51 1 1 {} {0.658556595719 0.608526986473 0.36929357087} H22 52 1 1 {} {0.624420857422 0.627658432228 0.2768572724} H23 53 1 1 {} {0.534231623953 0.649155521683 0.377661421214} H24 54 1 1 {} {0.625234381843 0.505837961753 0.505480649796} H25 55 1 1 {} {0.567020766464 0.496853661475 0.523139832503} H26 56 1 1 {} {0.594038473362 0.572912744472 0.552421099315} H27 57 1 1 {} {0.632405907327 0.785179566264 0.522392000604} H28 58 1 1 {} {0.673257549737 0.721006685394 0.513590964017} H29 59 1 1 {} {0.618688249954 0.701850429327 0.551980743537} H30 60 1 1 {} {0.554226420079 0.776051846119 0.372601212732} H31 61 1 1 {} {0.665199343836 0.800420475427 0.342282016822} H32 62 1 1 {} {0.528799629221 0.437566087281 0.219175163747} H33 63 1 1 {} {0.605651296301 0.455544806079 0.170405170386} H34 64 1 1 {} {0.565278970693 0.254386920376 0.37557225658} H35 65 1 1 {} {0.508567944719 0.343076569182 0.357638229862} H36 66 1 1 {} {0.652772869743 0.342113983582 0.41363714} H37 67 1 1 {} {0.64726915164 0.264627254767 0.288060076614} H38 68 1 1 {} {0.697771574434 0.423041182371 0.295329748921} H39 69 1 1 {} {0.687530219171 0.385211316031 0.197656773807} H40 70 1 1 {} {0.499232976341 0.285292485299 0.186509986142} H41 71 1 1 {} {0.538831964972 0.226536143794 0.193585458898} 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