#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 {} {0.352963051939 0.550250992063 0.422166100163} C1 1 1 14 {} {0.333921006856 0.517241115601 0.533247089762} Si1 2 1 14 {} {0.408188019163 0.592459651021 0.417948056287} Si2 3 1 8 {} {0.337161509804 0.577511174426 0.608485877977} O1 4 1 8 {} {0.280952545222 0.495307996657 0.525268859383} O2 5 1 6 {} {0.365553306742 0.44127368569 0.568637408708} C2 6 1 6 {} {0.45722958705 0.534858392311 0.41169854724} C3 7 1 8 {} {0.409814477516 0.63674897352 0.513089200738} O3 8 1 8 {} {0.408498410987 0.643352933345 0.33018992205} O4 9 1 14 {} {0.228691681195 0.500865160299 0.555891941867} Si3 10 1 7 {} {0.209033211256 0.422143005783 0.587318556654} N1 11 1 14 {} {0.172979416131 0.417849833249 0.679110112024} Si4 12 1 14 {} {0.224605450939 0.352144395286 0.523327776212} Si5 13 1 7 {} {0.225825253363 0.364593411705 0.409771755816} N2 14 1 7 {} {0.125461246501 0.466177458304 0.672000401623} N3 15 1 1 {} {0.35251192165 0.509816651156 0.372128480855} H1 16 1 1 {} {0.328018161185 0.587388446584 0.400167329779} H2 17 1 1 {} {0.360950200571 0.609676425232 0.595417011718} H3 18 1 1 {} {0.362224881199 0.400281922817 0.52012993618} H4 19 1 1 {} {0.35288074527 0.423214500513 0.63313052483} H5 20 1 1 {} {0.401269115205 0.45225517895 0.576903771524} H6 21 1 1 {} {0.489041348976 0.562442847909 0.410955974013} H7 22 1 1 {} {0.455819966873 0.504218601893 0.350752519284} H8 23 1 1 {} {0.458194433404 0.500683048892 0.469115844939} H9 24 1 1 {} {0.435036110799 0.666121899004 0.523359267151} H10 25 1 1 {} {0.436859213593 0.652085000261 0.301408523772} H11 26 1 1 {} {0.222891933773 0.54652697951 0.633886935979} H12 27 1 1 {} {0.203157670867 0.527432891613 0.478176190345} H13 28 1 1 {} {0.160103049905 0.346119553772 0.68731585804} H14 29 1 1 {} {0.196023078871 0.44215872334 0.761049181038} H15 30 1 1 {} {0.270526749199 0.330460316856 0.548262211547} H16 31 1 1 {} {0.191485618067 0.298735992713 0.543666756679} H17 32 1 1 {} {0.252281017926 0.38852236612 0.381815005657} H18 33 1 1 {} {0.19735586902 0.375194800583 0.375767947429} H19 34 1 1 {} {0.125287959681 0.513775766471 0.695773975482} H20 35 1 1 {} {0.102807133861 0.460193297571 0.622234164954} H21 36 1 6 {} {0.589009662633 0.332398156344 0.309719909281} C4 37 1 14 {} {0.584238765376 0.365943379006 0.426727084378} Si6 38 1 14 {} {0.573054913024 0.243334135418 0.291733904941} Si7 39 1 8 {} {0.6129045162 0.316877321545 0.494744448372} O5 40 1 8 {} {0.60685427286 0.440985488181 0.431683448184} O6 41 1 6 {} {0.524999758371 0.37459564536 0.463332236721} C5 42 1 6 {} {0.512164367806 0.232701967194 0.26816900797} C6 43 1 8 {} {0.588266253643 0.204683748779 0.386054414804} O7 44 1 8 {} {0.602738688728 0.20628331795 0.211894658453} O8 45 1 14 {} {0.650626618436 0.485820039841 0.460350578944} Si8 46 1 7 {} {0.635085527806 0.566856289089 0.487375822709} N4 47 1 14 {} {0.641531128468 0.594542173309 0.597695573886} Si9 48 1 14 {} {0.611170772225 0.620548338791 0.408438768559} Si10 49 1 7 {} {0.622208035888 0.601468937315 0.29869883504} N5 50 1 7 {} {0.694460975404 0.614345299155 0.634051130834} N6 51 1 1 {} {0.569596309565 0.364170224085 0.263754806368} H22 52 1 1 {} {0.624339762739 0.337547633009 0.290121713729} H23 53 1 1 {} {0.611313448868 0.269767445343 0.477220202274} H24 54 1 1 {} {0.505918500256 0.407557920404 0.418764990478} H25 55 1 1 {} {0.523759007029 0.396128324205 0.530804756959} H26 56 1 1 {} {0.508195816827 0.32572752264 0.465689864698} H27 57 1 1 {} {0.502840927009 0.179596667629 0.263529072174} H28 58 1 1 {} {0.502912930531 0.256865371398 0.204810014399} H29 59 1 1 {} {0.491745758285 0.255600976324 0.320916589621} H30 60 1 1 {} {0.591032427824 0.156356606776 0.383810125904} H31 61 1 1 {} {0.589571139587 0.202312058666 0.153161932128} H32 62 1 1 {} {0.672632958416 0.457051406658 0.541041453969} H33 63 1 1 {} {0.682323435546 0.485435608648 0.383719164203} H34 64 1 1 {} {0.614061404069 0.656676660757 0.604453456735} H35 65 1 1 {} {0.625217262822 0.541575643681 0.659551031672} H36 66 1 1 {} {0.561445805257 0.619742393294 0.416048252336} H37 67 1 1 {} {0.628175616552 0.689404427031 0.426486172325} H38 68 1 1 {} {0.605899379029 0.562748530513 0.268688142389} H39 69 1 1 {} {0.653983075414 0.604840657994 0.274417310268} H40 70 1 1 {} {0.715687795464 0.577231633888 0.651900635258} H41 71 1 1 {} {0.711260592093 0.653320992607 0.606957759127} 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