#MD System 2.0 @Title neb0_image05 @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 {} {0.214077516537 0.527103526171 0.323424644767} C1 1 1 14 {} {0.267958803549 0.489715715852 0.282482831426} Si1 2 1 14 {} {0.167411991061 0.535237453318 0.243111841724} Si2 3 1 8 {} {0.280399360254 0.520590730205 0.183262186511} O1 4 1 8 {} {0.30674720827 0.51151785539 0.35379409434} O2 5 1 6 {} {0.265895819759 0.396391158786 0.27607948381} C2 6 1 6 {} {0.135904926378 0.45557976831 0.225364331835} C3 7 1 8 {} {0.191470009629 0.562144951774 0.148748297204} O3 8 1 8 {} {0.131855033267 0.595713019112 0.272012348178} O4 9 1 14 {} {0.358542466536 0.539583815695 0.358020984606} Si3 10 1 7 {} {0.392025132599 0.474657666965 0.398200369561} N1 11 1 14 {} {0.444777219438 0.472917630201 0.349537022125} Si4 12 1 14 {} {0.373293549518 0.421447486646 0.482402945408} Si5 13 1 7 {} {0.344487512124 0.459614087085 0.568676526677} N2 14 1 7 {} {0.458267502039 0.55684247142 0.341595163204} N3 15 1 1 {} {0.202619340702 0.498833917527 0.382204433533} H1 16 1 1 {} {0.22228316468 0.57789294483 0.347270566831} H2 17 1 1 {} {0.255450952675 0.542951357876 0.153170756195} H3 18 1 1 {} {0.260504679035 0.373021962636 0.341632307078} H4 19 1 1 {} {0.29755196233 0.377079439627 0.249197053999} H5 20 1 1 {} {0.239134619266 0.379827058933 0.231037999122} H6 21 1 1 {} {0.109440278295 0.462214695707 0.175482276473} H7 22 1 1 {} {0.120274242238 0.438422196904 0.287646258243} H8 23 1 1 {} {0.157891984396 0.415249135869 0.201969453886} H9 24 1 1 {} {0.17267726739 0.584926080628 0.10609056912} H10 25 1 1 {} {0.103598473711 0.582524883827 0.297525894272} H11 26 1 1 {} {0.374657227985 0.559297157987 0.268855445015} H12 27 1 1 {} {0.35837747382 0.597842546491 0.420503293331} H13 28 1 1 {} {0.472730731498 0.429152836301 0.40568125915} H14 29 1 1 {} {0.447401681443 0.446559540057 0.255388356563} H15 30 1 1 {} {0.341840538335 0.3716577775 0.444277177844} H16 31 1 1 {} {0.413171525922 0.387922750703 0.521961082998} H17 32 1 1 {} {0.312775386119 0.476367600052 0.557424609941} H18 33 1 1 {} {0.360131544899 0.490740426208 0.61229071439} H19 34 1 1 {} {0.488795816186 0.565594366809 0.313692178186} H20 35 1 1 {} {0.456459203028 0.581630523875 0.400089623495} H21 36 1 6 {} {0.651161449041 0.640310876976 0.488350090178} C4 37 1 14 {} {0.610952759141 0.576894297385 0.446004536808} Si6 38 1 14 {} {0.645050424851 0.726557697955 0.442845073003} Si7 39 1 8 {} {0.600874214581 0.585371491761 0.338952583261} O5 40 1 8 {} {0.629630484595 0.500602843489 0.465542461813} O6 41 1 6 {} {0.557475809841 0.581429069626 0.506992456724} C5 42 1 6 {} {0.596663208396 0.775920213455 0.487884726498} C6 43 1 8 {} {0.639898029434 0.715091859243 0.332661874743} O7 44 1 8 {} {0.692096230162 0.769758906061 0.45693756456} O8 45 1 14 {} {0.637766010065 0.422202175471 0.43704381282} Si8 46 1 7 {} {0.591921863371 0.370993550131 0.455222488091} N4 47 1 14 {} {0.571764612325 0.321259091052 0.36543702431} Si9 48 1 14 {} {0.567180302637 0.366045502551 0.56164318979} Si10 49 1 7 {} {0.6026994331 0.385930088475 0.647919630926} N5 50 1 7 {} {0.606172673422 0.25797515581 0.328204019429} N6 51 1 1 {} {0.645268337229 0.641622560221 0.561071414371} H22 52 1 1 {} {0.686018349647 0.624841671667 0.477463671634} H23 53 1 1 {} {0.614645338779 0.624085067075 0.311100125692} H24 54 1 1 {} {0.558958002164 0.578916183704 0.580131817795} H25 55 1 1 {} {0.540426588524 0.536903384771 0.481519731159} H26 56 1 1 {} {0.538189271836 0.626548164975 0.487561088272} H27 57 1 1 {} {0.595598914205 0.826500716316 0.458545538697} H28 58 1 1 {} {0.598567423126 0.781888630017 0.560872995079} H29 59 1 1 {} {0.564427549029 0.751992182519 0.472961597131} H30 60 1 1 {} {0.647599632459 0.751956357271 0.293464786064} H31 61 1 1 {} {0.69228186536 0.803449033672 0.503939103783} H32 62 1 1 {} {0.648542542909 0.417314968678 0.340672548773} H33 63 1 1 {} {0.67678745683 0.401444702176 0.492120313582} H34 64 1 1 {} {0.530298795285 0.28927144344 0.399997107055} H35 65 1 1 {} {0.563942959851 0.364043840794 0.287306429401} H36 66 1 1 {} {0.529416915641 0.415429406129 0.569380385857} H37 67 1 1 {} {0.550069605134 0.297009084766 0.572853572345} H38 68 1 1 {} {0.608253894885 0.433971030806 0.663557735687} H39 69 1 1 {} {0.629211788332 0.356616729479 0.661695122032} H40 70 1 1 {} {0.63121201596 0.26908545538 0.283618941496} H41 71 1 1 {} {0.615770894113 0.219302932066 0.368228233809} 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