#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 {} {0.361875132011 0.556248391223 0.413276682334} C1 1 1 14 {} {0.338590299128 0.529597064654 0.523967040155} Si1 2 1 14 {} {0.423525628417 0.567060449961 0.408859257577} Si2 3 1 8 {} {0.351735430579 0.58634324312 0.59997487732} O1 4 1 8 {} {0.283591098271 0.52771358286 0.517027443642} O2 5 1 6 {} {0.357528706015 0.444383733032 0.558646634426} C2 6 1 6 {} {0.454769732118 0.486873073051 0.394185340775} C3 7 1 8 {} {0.436466688874 0.602070732974 0.507721478225} O3 8 1 8 {} {0.436558097935 0.618423335998 0.32574740788} O4 9 1 14 {} {0.233207352809 0.532329892717 0.558246079878} Si3 10 1 7 {} {0.213495101091 0.45423393672 0.592394602979} N1 11 1 14 {} {0.191042480743 0.445949061748 0.699848985251} Si4 12 1 14 {} {0.214059897371 0.386535463166 0.517361055048} Si5 13 1 7 {} {0.207999958856 0.407960640559 0.407018032735} N2 14 1 7 {} {0.140615250018 0.48499919996 0.7199177407} N3 15 1 1 {} {0.351861005454 0.520500106165 0.360955982113} H1 16 1 1 {} {0.346244284315 0.604601947139 0.396262730986} H2 17 1 1 {} {0.381604396279 0.604775978536 0.590351543893} H3 18 1 1 {} {0.348810878714 0.40581249858 0.509323352831} H4 19 1 1 {} {0.34182335962 0.430593679787 0.622366867567} H5 20 1 1 {} {0.39386932997 0.443178142967 0.568629195859} H6 21 1 1 {} {0.490855855421 0.496468144358 0.391022694884} H7 22 1 1 {} {0.445180377221 0.462585122913 0.331178012605} H8 23 1 1 {} {0.448647857776 0.451292624718 0.448674195995} H9 24 1 1 {} {0.46721460263 0.61667808155 0.513949682427} H10 25 1 1 {} {0.468531232037 0.621271955737 0.314397747943} H11 26 1 1 {} {0.231458762294 0.576543348004 0.638504228828} H12 27 1 1 {} {0.204326365295 0.560479251747 0.486591844091} H13 28 1 1 {} {0.184326345196 0.372870556834 0.714126207321} H14 29 1 1 {} {0.22258242699 0.475151339848 0.765873808734} H15 30 1 1 {} {0.257370168132 0.350048213337 0.523175018414} H16 31 1 1 {} {0.176486051556 0.34185246171 0.543926527265} H17 32 1 1 {} {0.234992835806 0.422391344718 0.370839919307} H18 33 1 1 {} {0.179960869612 0.431124867908 0.384702414062} H19 34 1 1 {} {0.139835437836 0.534585854212 0.735018457621} H20 35 1 1 {} {0.112566507884 0.471257213671 0.686433064078} H21 36 1 6 {} {0.628942159367 0.636433988634 0.349730576527} C4 37 1 14 {} {0.585858798244 0.573912433124 0.387127176866} Si6 38 1 14 {} {0.623299760452 0.724909118336 0.386204553034} Si7 39 1 8 {} {0.535575903696 0.609557578976 0.381714202609} O5 40 1 8 {} {0.586624469361 0.509430332272 0.320031216087} O6 41 1 6 {} {0.596904378067 0.541958522051 0.502020155189} C5 42 1 6 {} {0.641448227277 0.741971651227 0.503426934472} C6 43 1 8 {} {0.568445778925 0.739747012212 0.374664021115} O7 44 1 8 {} {0.65115612979 0.77421678568 0.316396493178} O8 45 1 14 {} {0.580223370798 0.449025800539 0.24712280554} Si8 46 1 7 {} {0.59271878276 0.370967746196 0.29011016563} N4 47 1 14 {} {0.549103492833 0.314626989431 0.313532240147} Si9 48 1 14 {} {0.647263195362 0.345617032568 0.315339437002} Si10 49 1 7 {} {0.688369533037 0.391714319405 0.264251166042} N5 50 1 7 {} {0.525082606224 0.271455191937 0.226727158857} N6 51 1 1 {} {0.662358227092 0.618090673537 0.368511093913} H22 52 1 1 {} {0.628207657217 0.637223066517 0.276055937219} H23 53 1 1 {} {0.5378189489 0.658604732269 0.376771000843} H24 54 1 1 {} {0.629024104504 0.515387967849 0.504696269617} H25 55 1 1 {} {0.570815443054 0.506406798851 0.522347443048} H26 56 1 1 {} {0.597827709107 0.582470422736 0.55162440335} H27 57 1 1 {} {0.636189516039 0.794744857761 0.52160469431} H28 58 1 1 {} {0.677041675157 0.730575726311 0.512805454108} H29 59 1 1 {} {0.622471915504 0.711417655564 0.551186611809} H30 60 1 1 {} {0.558018192654 0.785611144944 0.371816154422} H31 61 1 1 {} {0.668982245745 0.809984299549 0.341498103085} H32 62 1 1 {} {0.532569525345 0.447143425424 0.218386467224} H33 63 1 1 {} {0.609429781907 0.46511442135 0.169602787648} H34 64 1 1 {} {0.569063380416 0.263961162731 0.374804737906} H35 65 1 1 {} {0.512360156382 0.352632992289 0.356856781569} H36 66 1 1 {} {0.656561063747 0.351669074071 0.412849300371} H37 67 1 1 {} {0.651049007193 0.27418894896 0.287283686117} H38 68 1 1 {} {0.701544268257 0.432607260119 0.294532463112} H39 69 1 1 {} {0.6913139588 0.39478203688 0.196878971713} H40 70 1 1 {} {0.503027773204 0.294874024787 0.185728205322} H41 71 1 1 {} {0.542621384837 0.236116519898 0.192816597672} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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