#MD System 2.0 @Title neb0_image09 @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 {} {0.282368274339 0.515974416426 0.440542097461} C1 1 1 14 {} {0.324655968097 0.474390635601 0.397965742641} Si1 2 1 14 {} {0.243326692763 0.522218364683 0.365509782794} Si2 3 1 8 {} {0.350626420444 0.481174305105 0.292114742847} O1 4 1 8 {} {0.323513019337 0.554009613583 0.52487212283} O2 5 1 6 {} {0.344916655366 0.380658546222 0.408139585426} C2 6 1 6 {} {0.214531636023 0.441249979467 0.348531104738} C3 7 1 8 {} {0.270745014601 0.569725254953 0.286471013289} O3 8 1 8 {} {0.20770921946 0.571140825446 0.409865670131} O4 9 1 14 {} {0.383876768436 0.515222170214 0.443618546559} Si3 10 1 7 {} {0.339474492708 0.344287248572 0.431354883515} N1 11 1 14 {} {0.224419630956 0.227421534098 -0.121652474229} Si4 12 1 14 {} {0.41037543776 0.373545995648 0.639482451484} Si5 13 1 7 {} {0.412018630903 0.427497595925 0.726223928649} N2 14 1 7 {} {-0.287828146545 0.766922474247 -0.88671059949} N3 15 1 1 {} {0.281363468332 0.484789581473 0.50332253817} H1 16 1 1 {} {0.305249320736 0.562621289949 0.464257142127} H2 17 1 1 {} {0.332542609748 0.530709337518 0.267289531156} H3 18 1 1 {} {0.33842701653 0.353869941054 0.469370953157} H4 19 1 1 {} {0.376134991903 0.358010309508 0.384377296569} H5 20 1 1 {} {0.31888577691 0.367045914675 0.362927214971} H6 21 1 1 {} {0.187784403845 0.451322348639 0.300101087403} H7 22 1 1 {} {0.198312338916 0.430104499389 0.414292484968} H8 23 1 1 {} {0.234275904606 0.396605770479 0.329593332684} H9 24 1 1 {} {0.244965488455 0.577499279604 0.233772211026} H10 25 1 1 {} {0.178686882093 0.551824470433 0.439346314} H11 26 1 1 {} {0.376384933675 0.522206011478 0.350404742798} H12 27 1 1 {} {0.450836922318 0.572728452903 0.541070636632} H13 28 1 1 {} {0.515746476411 0.743248926929 0.235973149338} H14 29 1 1 {} {0.420371722508 -0.0320398800716 0.00969450882244} H15 30 1 1 {} {0.38636063922 0.273359648248 0.641082909737} H16 31 1 1 {} {0.486572772292 0.36730589538 0.640895370783} H17 32 1 1 {} {0.384220329514 0.467665264215 0.707440015997} H18 33 1 1 {} {0.428263154398 0.48146236469 0.75209756014} H19 34 1 1 {} {0.114569455015 0.500152043281 0.0480960023515} H20 35 1 1 {} {-0.795697365063 0.811590405351 -0.929330391427} H21 36 1 6 {} {0.846151275078 0.725562711612 0.368909966502} C4 37 1 14 {} {0.861249976378 0.694312727155 0.573985989412} Si6 38 1 14 {} {0.626831048869 0.777893182277 0.289845694546} Si7 39 1 8 {} {0.436683338006 0.657777818689 0.614249423301} O5 40 1 8 {} {0.675389328029 0.523178760901 0.322451449264} O6 41 1 6 {} {0.98625906257 0.715296909305 1.30665058375} C5 42 1 6 {} {0.528725115392 0.769720176947 0.356391897522} C6 43 1 8 {} {0.578138127245 0.732177315678 0.198455096711} O7 44 1 8 {} {0.640187360367 0.903913746866 0.267414152128} O8 45 1 14 {} {0.583160356121 0.413974711358 0.321491589666} Si8 46 1 7 {} {0.517351102346 0.388801912338 0.330151522877} N4 47 1 14 {} {0.502731286004 0.329124226854 0.255121650717} Si9 48 1 14 {} {0.513514802467 0.362217455235 0.486472707668} Si10 49 1 7 {} {0.553633258202 0.385811998418 0.509769663344} N5 50 1 7 {} {0.526660800383 0.266125340478 0.186750044099} N6 51 1 1 {} {0.669256856953 0.674220664384 0.375910769343} H22 52 1 1 {} {0.902082662531 0.833045934172 0.453068551455} H23 53 1 1 {} {0.458223524811 0.589694255687 0.251457564137} H24 54 1 1 {} {0.931191315642 0.958667196751 1.48468103127} H25 55 1 1 {} {1.50972670444 0.169577631049 1.57011932937} H26 56 1 1 {} {0.690870441777 0.336058365788 0.758229682144} H27 57 1 1 {} {0.5220682733 0.828030147846 0.322663966271} H28 58 1 1 {} {0.523834679753 0.792973312099 0.430303347689} H29 59 1 1 {} {0.488396603145 0.763278532854 0.341088088145} H30 60 1 1 {} {0.563570879161 0.768815679829 0.125254900256} H31 61 1 1 {} {0.623109620179 0.877870952387 0.402780313445} H32 62 1 1 {} {0.571637505078 0.412160752997 0.192435769607} H33 63 1 1 {} {0.619638143489 0.383189003746 0.374987575169} H34 64 1 1 {} {0.454747048098 0.295723540626 0.275575925973} H35 65 1 1 {} {0.484963151788 0.380708664826 0.176304731299} H36 66 1 1 {} {0.491488348905 0.428953190825 0.617660914741} H37 67 1 1 {} {0.473676866964 0.294772440368 0.453575897812} H38 68 1 1 {} {0.532689573027 0.430526897093 0.555533777525} H39 69 1 1 {} {0.58901879774 0.363715317891 0.581942763609} H40 70 1 1 {} {0.549410648527 0.280406406599 0.147127979712} H41 71 1 1 {} {0.532423043719 0.221506819592 0.218589450502} 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