#MD System 2.0 @Title neb0_image01 @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 {} {0.202546733577 0.529203411146 0.305623632751} C1 1 1 14 {} {0.256437649537 0.492132763294 0.263768412537} Si1 2 1 14 {} {0.155831498656 0.537652987487 0.224666523653} Si2 3 1 8 {} {0.269007477565 0.525213894063 0.16593008944} O1 4 1 8 {} {0.29646371181 0.51233481762 0.334660082616} O2 5 1 6 {} {0.254458140047 0.398958321948 0.256860689886} C2 6 1 6 {} {0.124257463533 0.457977822954 0.206920155735} C3 7 1 8 {} {0.18029443804 0.563393427737 0.130303230739} O3 8 1 8 {} {0.120511120263 0.598788644564 0.251762687481} O4 9 1 14 {} {0.347919683311 0.54135553381 0.339876395539} Si3 10 1 7 {} {0.3826871829 0.478522976648 0.381624775694} N1 11 1 14 {} {0.437112851098 0.476930115514 0.340737025956} Si4 12 1 14 {} {0.362287622951 0.424282796806 0.464329221699} Si5 13 1 7 {} {0.333108103148 0.462042060001 0.54970994788} N2 14 1 7 {} {0.459134480823 0.556643880008 0.34696481594} N3 15 1 1 {} {0.190882795324 0.500608701865 0.364069955045} H1 16 1 1 {} {0.210372432092 0.580061622937 0.32972780123} H2 17 1 1 {} {0.243509075924 0.545444111796 0.135201597083} H3 18 1 1 {} {0.249300337517 0.375949715578 0.322696653873} H4 19 1 1 {} {0.286183893606 0.379934619846 0.230096627966} H5 20 1 1 {} {0.227675739118 0.38192324523 0.212141594711} H6 21 1 1 {} {0.0977428350207 0.464208453934 0.15686292419} H7 22 1 1 {} {0.108710105796 0.440279193167 0.269115871453} H8 23 1 1 {} {0.146640531616 0.418132508633 0.183312642851} H9 24 1 1 {} {0.161806160989 0.58662674806 0.0872016698049} H10 25 1 1 {} {0.0921002828786 0.586379152311 0.277712633908} H11 26 1 1 {} {0.364331736401 0.561441050956 0.249999586067} H12 27 1 1 {} {0.346754496101 0.600247640471 0.400960244543} H13 28 1 1 {} {0.461082555331 0.424396300336 0.393243683086} H14 29 1 1 {} {0.439185334128 0.459586069329 0.243919289961} H15 30 1 1 {} {0.330822524324 0.375146900358 0.423992046238} H16 31 1 1 {} {0.40175621608 0.390017876902 0.503561035764} H17 32 1 1 {} {0.301491675635 0.478501300259 0.53871000577} H18 33 1 1 {} {0.349088856701 0.492503091629 0.59368018563} H19 34 1 1 {} {0.481962587425 0.571571631549 0.300852099693} H20 35 1 1 {} {0.464973677245 0.578832326528 0.406870636336} H21 36 1 6 {} {0.657682271095 0.636715145107 0.507015715441} C4 37 1 14 {} {0.618209529379 0.572820506446 0.459187013524} Si6 38 1 14 {} {0.655322492251 0.72335117798 0.462096139345} Si7 39 1 8 {} {0.615971017115 0.58105524016 0.349520723067} O5 40 1 8 {} {0.638002954799 0.498100406898 0.483521791059} O6 41 1 6 {} {0.561065721612 0.578911928581 0.508259352196} C5 42 1 6 {} {0.607724732615 0.773791759839 0.506855443495} C6 43 1 8 {} {0.651257888424 0.712459874329 0.351607833717} O7 44 1 8 {} {0.702890734058 0.764838652424 0.477748808451} O8 45 1 14 {} {0.648551113071 0.420228376067 0.455590714215} Si8 46 1 7 {} {0.603174492447 0.368058205301 0.473638499953} N4 47 1 14 {} {0.583596196547 0.318859030964 0.38511889246} Si9 48 1 14 {} {0.57850274202 0.364616688646 0.580126566893} Si10 49 1 7 {} {0.61366390197 0.38341610591 0.667098956936} N5 50 1 7 {} {0.618606458454 0.256134234495 0.347783418989} N6 51 1 1 {} {0.65358995195 0.638230170629 0.580110280183} H22 52 1 1 {} {0.691759045622 0.617999063117 0.494505309686} H23 53 1 1 {} {0.628222383684 0.623421783829 0.327611577431} H24 54 1 1 {} {0.561152234751 0.569026333208 0.580424622832} H25 55 1 1 {} {0.538983226296 0.541955205275 0.476495807194} H26 56 1 1 {} {0.546600279514 0.628852423793 0.497350870464} H27 57 1 1 {} {0.60697582035 0.824214942549 0.477490558954} H28 58 1 1 {} {0.609811853004 0.779300301983 0.579797664329} H29 59 1 1 {} {0.575648449366 0.749636350222 0.491741685113} H30 60 1 1 {} {0.659121975964 0.749948522562 0.313679624649} H31 61 1 1 {} {0.703265138708 0.799762308251 0.522515737782} H32 62 1 1 {} {0.660049911121 0.415141664652 0.358841192543} H33 63 1 1 {} {0.687713723387 0.399773968804 0.510386333348} H34 64 1 1 {} {0.54181178487 0.286866865731 0.41796388837} H35 65 1 1 {} {0.575439781635 0.361664127855 0.305503124291} H36 66 1 1 {} {0.54125029267 0.413923148006 0.586339037647} H37 67 1 1 {} {0.561355757346 0.295159516651 0.591754941052} H38 68 1 1 {} {0.620249712237 0.43203660852 0.681897660341} H39 69 1 1 {} {0.64071213282 0.354384908853 0.680203206374} H40 70 1 1 {} {0.643187160549 0.267162418537 0.303445074777} H41 71 1 1 {} {0.628122991069 0.218259296432 0.388913592881} 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