#MD System 2.0 @Title neb0_image08 @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 {} {0.362153109319 0.526186793201 0.423496272498} C1 1 1 14 {} {0.343116624174 0.493184241767 0.534552279397} Si1 2 1 14 {} {0.41739478818 0.568303764553 0.419311177556} Si2 3 1 8 {} {0.346355821435 0.55345643626 0.609818069631} O1 4 1 8 {} {0.290195593275 0.471195613081 0.526617001597} O2 5 1 6 {} {0.374750535798 0.417218836227 0.569946636763} C2 6 1 6 {} {0.466465679413 0.510703725369 0.413035458471} C3 7 1 8 {} {0.418992321323 0.61272572018 0.514407253611} O3 8 1 8 {} {0.417715292827 0.619192219112 0.331524518029} O4 9 1 14 {} {0.237866368733 0.476810146913 0.55722508718} Si3 10 1 7 {} {0.218215809323 0.398088939877 0.588658194302} N1 11 1 14 {} {0.182179514875 0.39373347747 0.6805028121} Si4 12 1 14 {} {0.233820916856 0.328077204267 0.524723303449} Si5 13 1 7 {} {0.235039139351 0.340443369095 0.411106076597} N2 14 1 7 {} {0.134673088157 0.442068753625 0.673321309708} N3 15 1 1 {} {0.361704917683 0.485754162523 0.373462694746} H1 16 1 1 {} {0.337220800686 0.563359394463 0.401497473085} H2 17 1 1 {} {0.370142967686 0.585589077634 0.596761668256} H3 18 1 1 {} {0.371429930762 0.376220818141 0.521448532981} H4 19 1 1 {} {0.362076036297 0.399162021867 0.634450524587} H5 20 1 1 {} {0.410462736689 0.42819613387 0.578240051535} H6 21 1 1 {} {0.498246016702 0.538352517212 0.41226069906} H7 22 1 1 {} {0.465039606138 0.480113680308 0.352063843667} H8 23 1 1 {} {0.46743016599 0.476542167632 0.470466389075} H9 24 1 1 {} {0.444250141519 0.642030271704 0.524694162696} H10 25 1 1 {} {0.446057426321 0.628001794977 0.302753511592} H11 26 1 1 {} {0.23207716424 0.522453882969 0.635240068845} H12 27 1 1 {} {0.212340838373 0.503352558562 0.47952884551} H13 28 1 1 {} {0.169287797272 0.322038190811 0.688635650734} H14 29 1 1 {} {0.205215203022 0.418072444533 0.762403460606} H15 30 1 1 {} {0.279746273877 0.306388526521 0.549632229257} H16 31 1 1 {} {0.200686443464 0.274659366555 0.544997013909} H17 32 1 1 {} {0.261472287513 0.364445061116 0.38316667659} H18 33 1 1 {} {0.20656392696 0.35110897172 0.377099340131} H19 34 1 1 {} {0.134474975386 0.489654764691 0.697103272038} H20 35 1 1 {} {0.111999463178 0.436133920335 0.623557744313} H21 36 1 6 {} {0.579808279754 0.356471519263 0.308368859122} C4 37 1 14 {} {0.575031993648 0.390041045189 0.425350112795} Si6 38 1 14 {} {0.563857365377 0.267385125901 0.290459504999} Si7 39 1 8 {} {0.603658083336 0.340967941467 0.493376358451} O5 40 1 8 {} {0.597679839172 0.465076823196 0.430375739199} O6 41 1 6 {} {0.51577577616 0.398740415323 0.461983618297} C5 42 1 6 {} {0.50295510352 0.256780921711 0.266820047689} C6 43 1 8 {} {0.579139157679 0.22875407928 0.38473175505} O7 44 1 8 {} {0.593575328928 0.230389155445 0.210571130066} O8 45 1 14 {} {0.641409058451 0.509925572537 0.459026287964} Si8 46 1 7 {} {0.625915848575 0.59100655697 0.486105986309} N4 47 1 14 {} {0.632161552631 0.618552443422 0.596402457348} Si9 48 1 14 {} {0.602029563022 0.644660623542 0.406616765228} Si10 49 1 7 {} {0.61301868834 0.625618743271 0.297042652333} N5 50 1 7 {} {0.68518683224 0.638368291126 0.632562155315} N6 51 1 1 {} {0.560392872734 0.388240054725 0.262426501607} H22 52 1 1 {} {0.615135707955 0.361617707539 0.288779293793} H23 53 1 1 {} {0.602107025204 0.29382784619 0.475893200434} H24 54 1 1 {} {0.496660577212 0.431716459826 0.417427325804} H25 55 1 1 {} {0.514561471745 0.420220583074 0.52950111962} H26 56 1 1 {} {0.498989112089 0.34983172148 0.464366407589} H27 57 1 1 {} {0.493618345642 0.203678043465 0.262163269199} H28 58 1 1 {} {0.493724816352 0.280964005571 0.203443601799} H29 59 1 1 {} {0.482532688697 0.279710298616 0.319546951366} H30 60 1 1 {} {0.581795540478 0.18040752692 0.382484914155} H31 61 1 1 {} {0.580366196366 0.226377786677 0.15185104785} H32 62 1 1 {} {0.663415454043 0.481110714951 0.539671385161} H33 63 1 1 {} {0.673142275605 0.50949638955 0.382382703748} H34 64 1 1 {} {0.604890818076 0.680813444982 0.603210037763} H35 65 1 1 {} {0.61603614037 0.565641017654 0.658437572038} H36 66 1 1 {} {0.552293559269 0.643745966146 0.414800467594} H37 67 1 1 {} {0.618958395452 0.713436361481 0.425324498427} H38 68 1 1 {} {0.596764632383 0.586870848477 0.267525538207} H39 69 1 1 {} {0.644701061605 0.6289270533 0.273231030139} H40 70 1 1 {} {0.706552324466 0.601212721731 0.650618340036} H41 71 1 1 {} {0.702130758379 0.677521550362 0.605498369091} 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