#MD System 2.0 @Title neb0_image03 @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 {} {0.207665514463 0.528243092047 0.314032328277} C1 1 1 14 {} {0.261591434049 0.491259294873 0.272285606103} Si1 2 1 14 {} {0.160997892928 0.536715587027 0.232980423885} Si2 3 1 8 {} {0.27416667182 0.524291239969 0.174428984763} O1 4 1 8 {} {0.301631384118 0.511506996863 0.343106674594} O2 5 1 6 {} {0.259631677153 0.398101100854 0.265194317523} C2 6 1 6 {} {0.129436730041 0.457017643686 0.215284105472} C3 7 1 8 {} {0.185519091579 0.562543219489 0.138753069695} O3 8 1 8 {} {0.125671868286 0.597856309339 0.260014294751} O4 9 1 14 {} {0.353114655556 0.540512511276 0.348372797354} Si3 10 1 7 {} {0.387837469707 0.477557452942 0.389918135803} N1 11 1 14 {} {0.442154876344 0.475909746237 0.348838544645} Si4 12 1 14 {} {0.3674431626 0.423344729309 0.472676706662} Si5 13 1 7 {} {0.338301249378 0.461111983764 0.558101922051} N2 14 1 7 {} {0.464032905474 0.555601915573 0.354935020653} N3 15 1 1 {} {0.196081962783 0.499621237118 0.372479241909} H1 16 1 1 {} {0.215540148472 0.579064839817 0.33817406441} H2 17 1 1 {} {0.24868704825 0.544479048427 0.143630432386} H3 18 1 1 {} {0.254489944966 0.37507362765 0.330996151154} H4 19 1 1 {} {0.291351249006 0.379022465283 0.238461848499} H5 20 1 1 {} {0.232874351123 0.380968080301 0.220525501967} H6 21 1 1 {} {0.10292839336 0.463227364225 0.165227242145} H7 22 1 1 {} {0.113899972372 0.439273765859 0.277484716849} H8 23 1 1 {} {0.151853020834 0.417210260445 0.191676777673} H9 24 1 1 {} {0.16699541739 0.585642444217 0.0955990631707} H10 25 1 1 {} {0.0972689526173 0.585508920912 0.286037211165} H11 26 1 1 {} {0.369453840647 0.560425179763 0.258509335665} H12 27 1 1 {} {0.351940552963 0.599266614399 0.409302676709} H13 28 1 1 {} {0.466263352834 0.423626218616 0.401593272782} H14 29 1 1 {} {0.444357745459 0.458626941653 0.252279898784} H15 30 1 1 {} {0.335966728391 0.374187146006 0.432428770743} H16 31 1 1 {} {0.406908065097 0.389076032659 0.511976725312} H17 32 1 1 {} {0.306689146493 0.477638767785 0.547176873612} H18 33 1 1 {} {0.354292319877 0.491559034283 0.60209982855} H19 34 1 1 {} {0.487073060055 0.57063016202 0.309369439186} H20 35 1 1 {} {0.469901511406 0.577879056488 0.414728588888} H21 36 1 6 {} {0.652515284397 0.637566543682 0.49864306016} C4 37 1 14 {} {0.613068142055 0.573789469344 0.450753349203} Si6 38 1 14 {} {0.650194869752 0.724253749289 0.453812046113} Si7 39 1 8 {} {0.610651515387 0.582049190249 0.341031118468} O5 40 1 8 {} {0.632788720316 0.499045409042 0.475050753888} O6 41 1 6 {} {0.556049691061 0.579901794618 0.500111498516} C5 42 1 6 {} {0.602593179704 0.774698571387 0.498525923239} C6 43 1 8 {} {0.645942287582 0.713447652543 0.343275529289} O7 44 1 8 {} {0.697750498347 0.765609678303 0.469473552504} O8 45 1 14 {} {0.64329013412 0.421129384164 0.447103069396} Si8 46 1 7 {} {0.59802543842 0.369012620048 0.465544328945} N4 47 1 14 {} {0.57845669002 0.319586050726 0.376673923843} Si9 48 1 14 {} {0.573229166164 0.365586859363 0.571321716298} Si10 49 1 7 {} {0.608607831886 0.38441462541 0.658792414569} N5 50 1 7 {} {0.613424028863 0.257075941609 0.339392613024} N6 51 1 1 {} {0.648391453516 0.639128487686 0.571726996516} H22 52 1 1 {} {0.686578034794 0.618853934058 0.486187444027} H23 53 1 1 {} {0.623047733165 0.624391620949 0.319240858028} H24 54 1 1 {} {0.556104743442 0.569995855015 0.572162976006} H25 55 1 1 {} {0.534135336497 0.54288375297 0.468222588958} H26 56 1 1 {} {0.541535423524 0.629821863925 0.489010512381} H27 57 1 1 {} {0.601808030589 0.82511641753 0.469099341383} H28 58 1 1 {} {0.604618579281 0.780221509079 0.571480999925} H29 59 1 1 {} {0.570503870908 0.750548379975 0.483324417271} H30 60 1 1 {} {0.653888009832 0.750892835421 0.305305580894} H31 61 1 1 {} {0.698114463972 0.800634713202 0.514049301401} H32 62 1 1 {} {0.654873996423 0.416087645393 0.350382062774} H33 63 1 1 {} {0.682539025912 0.400763351138 0.501967543042} H34 64 1 1 {} {0.536668464568 0.287763019797 0.409579149633} H35 65 1 1 {} {0.570263304057 0.362600658886 0.297132161112} H36 66 1 1 {} {0.536134284518 0.415000538229 0.578024340613} H37 67 1 1 {} {0.556150269342 0.296166677174 0.58348675011} H38 68 1 1 {} {0.615109997369 0.433008427447 0.673622207141} H39 69 1 1 {} {0.635569015052 0.35530258523 0.671838101032} H40 70 1 1 {} {0.638055296398 0.268104486107 0.295163614626} H41 71 1 1 {} {0.622987682626 0.219268596248 0.380615675946} 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