#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 {} {0.22056608187 0.52585174122 0.334908169489} C1 1 1 14 {} {0.274507222353 0.488886633888 0.293057488655} Si1 2 1 14 {} {0.173859937149 0.534376929815 0.253938484928} Si2 3 1 8 {} {0.287131110712 0.522100614816 0.195318193821} O1 4 1 8 {} {0.314451023511 0.509153943963 0.364076923538} O2 5 1 6 {} {0.272531731941 0.395688417372 0.286047685133} C2 6 1 6 {} {0.142333355082 0.454649232239 0.236157243612} C3 7 1 8 {} {0.198363521624 0.560169728963 0.15963443168} O3 8 1 8 {} {0.13851469565 0.595545258197 0.280766893162} O4 9 1 14 {} {0.365950384516 0.53806401348 0.36912385633} Si3 10 1 7 {} {0.40069648557 0.475157047735 0.410759263535} N1 11 1 14 {} {0.455145037473 0.47363252419 0.369926869489} Si4 12 1 14 {} {0.380310731259 0.420970489184 0.493558590342} Si5 13 1 7 {} {0.351197581477 0.458804385001 0.578964984134} N2 14 1 7 {} {0.477117022825 0.553366853548 0.376112918768} N3 15 1 1 {} {0.208947363631 0.49725913917 0.393415729669} H1 16 1 1 {} {0.228379717388 0.576690596175 0.359110716808} H2 17 1 1 {} {0.261548358811 0.542086702064 0.164577040112} H3 18 1 1 {} {0.26737601333 0.372754988256 0.351935906266} H4 19 1 1 {} {0.304257580079 0.376716731914 0.259249844169} H5 20 1 1 {} {0.245755631664 0.378592492928 0.241334741842} H6 21 1 1 {} {0.115811020317 0.460810138303 0.186108843178} H7 22 1 1 {} {0.126800486306 0.436884071269 0.298327932566} H8 23 1 1 {} {0.16474100537 0.414850643751 0.212530967916} H9 24 1 1 {} {0.179885975179 0.583281637362 0.116393346547} H10 25 1 1 {} {0.110137640452 0.583167438419 0.306875253671} H11 26 1 1 {} {0.382348952629 0.558052662927 0.279189223546} H12 27 1 1 {} {0.364819115598 0.596950134341 0.430214987727} H13 28 1 1 {} {0.479155044503 0.421203143304 0.422543035855} H14 29 1 1 {} {0.457245015757 0.45630697179 0.273108017723} H15 30 1 1 {} {0.348825319294 0.37180092009 0.453300180416} H16 31 1 1 {} {0.419777977082 0.386736233189 0.532876108328} H17 32 1 1 {} {0.319574503893 0.475264078499 0.568031523686} H18 33 1 1 {} {0.367221711666 0.489168634806 0.622997819339} H19 34 1 1 {} {0.499975412516 0.568280697412 0.330051117856} H20 35 1 1 {} {0.482933576598 0.575490322567 0.436075320974} H21 36 1 6 {} {0.639630728843 0.639952526739 0.477797779865} C4 37 1 14 {} {0.60013835656 0.576111344321 0.429862546185} Si6 38 1 14 {} {0.637262706312 0.726588299748 0.432929155355} Si7 39 1 8 {} {0.597872532843 0.584390366232 0.320216111888} O5 40 1 8 {} {0.619823593642 0.501352226976 0.454133198559} O6 41 1 6 {} {0.543038210294 0.582256055505 0.47889016075} C5 42 1 6 {} {0.589688197605 0.777039590864 0.477644616799} C6 43 1 8 {} {0.632942431458 0.7158564784 0.322478335691} O7 44 1 8 {} {0.684909679654 0.767945438219 0.448606235221} O8 45 1 14 {} {0.630450711782 0.423494931913 0.426242434415} Si8 46 1 7 {} {0.585114381793 0.371298378822 0.444357167558} N4 47 1 14 {} {0.565557749273 0.322103679957 0.355850144305} Si9 48 1 14 {} {0.560461098562 0.368007288936 0.550884354542} Si10 49 1 7 {} {0.595654393841 0.386756986197 0.6378126576} N5 50 1 7 {} {0.600609023229 0.25940698729 0.318589344897} N6 51 1 1 {} {0.635491051827 0.641492455736 0.550873091804} H22 52 1 1 {} {0.673691459076 0.621127107112 0.465337299684} H23 53 1 1 {} {0.610171766031 0.626752696192 0.298413609886} H24 54 1 1 {} {0.543218951483 0.572280729907 0.551037131487} H25 55 1 1 {} {0.520957472405 0.545310296934 0.447113708771} H26 56 1 1 {} {0.528617424572 0.632229817947 0.46807357898} H27 57 1 1 {} {0.588942322882 0.827478647756 0.44827281189} H28 58 1 1 {} {0.591752989788 0.782564355455 0.550575215471} H29 59 1 1 {} {0.557626538485 0.752872063891 0.462444030361} H30 60 1 1 {} {0.640994334877 0.753231286033 0.284525207863} H31 61 1 1 {} {0.685238575967 0.802995703449 0.493222468444} H32 62 1 1 {} {0.641996720836 0.418428439724 0.329511318387} H33 63 1 1 {} {0.669627669005 0.403108795046 0.481026332025} H34 64 1 1 {} {0.523788362398 0.290067149391 0.388741092918} H35 65 1 1 {} {0.557401915573 0.364952436269 0.276273294227} H36 66 1 1 {} {0.523272077085 0.417397510383 0.557042882672} H37 67 1 1 {} {0.543238299471 0.298605715836 0.562569519593} H38 68 1 1 {} {0.602240511491 0.43534836958 0.652776074651} H39 69 1 1 {} {0.622668138413 0.357648116329 0.650902491378} H40 70 1 1 {} {0.625228810641 0.270456047554 0.274342449687} H41 71 1 1 {} {0.610165324581 0.221628438615 0.359840619196} 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