#MD System 2.0 @Title neb0_image06 @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 {} {0.367169569476 0.57141251117 0.412332720242} C1 1 1 14 {} {0.344220203022 0.544821760662 0.522878900459} Si1 2 1 14 {} {0.428619624746 0.580574735761 0.408067036345} Si2 3 1 8 {} {0.357592591242 0.601644803549 0.598857577505} O1 4 1 8 {} {0.289426575313 0.542879945149 0.515805639583} O2 5 1 6 {} {0.363376256339 0.459597162043 0.557534674921} C2 6 1 6 {} {0.45740045515 0.498107893965 0.393147841285} C3 7 1 8 {} {0.442148311036 0.61518302176 0.506918386358} O3 8 1 8 {} {0.440833691222 0.632183734048 0.32468227127} O4 9 1 14 {} {0.238917585589 0.547665155242 0.557043979651} Si3 10 1 7 {} {0.219531743615 0.469558796576 0.591085179886} N1 11 1 14 {} {0.197208333761 0.461345764526 0.698554420139} Si4 12 1 14 {} {0.220091256976 0.401933279022 0.515910827916} Si5 13 1 7 {} {0.214028853603 0.422838909489 0.405365299705} N2 14 1 7 {} {0.146776285392 0.500293918532 0.718933066022} N3 15 1 1 {} {0.357453073371 0.535655605833 0.359899533406} H1 16 1 1 {} {0.35195467266 0.619895893617 0.395090336462} H2 17 1 1 {} {0.387527845038 0.619712670394 0.588889536046} H3 18 1 1 {} {0.35475354364 0.421035357634 0.50805949102} H4 19 1 1 {} {0.347654541275 0.445641637101 0.621186169558} H5 20 1 1 {} {0.399709674776 0.458436449208 0.567567535191} H6 21 1 1 {} {0.493580194816 0.505627815382 0.390640684938} H7 22 1 1 {} {0.447307312694 0.47399121439 0.330337336298} H8 23 1 1 {} {0.449949733694 0.463087848553 0.447636844323} H9 24 1 1 {} {0.473174380085 0.62836577273 0.512705302086} H10 25 1 1 {} {0.472158114336 0.630309654098 0.307767197779} H11 26 1 1 {} {0.237491951063 0.592055675108 0.637150711469} H12 27 1 1 {} {0.210209572962 0.575877654199 0.485163704388} H13 28 1 1 {} {0.190580931239 0.388218782836 0.712910605779} H14 29 1 1 {} {0.228814408482 0.490556302591 0.764549313991} H15 30 1 1 {} {0.263370641223 0.365244426423 0.521842546525} H16 31 1 1 {} {0.182447605275 0.357390009139 0.542643441781} H17 32 1 1 {} {0.241056688587 0.437799444506 0.369676227652} H18 33 1 1 {} {0.186109847295 0.446608304708 0.383487992352} H19 34 1 1 {} {0.146012654137 0.549937863993 0.73362954051} H20 35 1 1 {} {0.118784111253 0.486494208138 0.685297369486} H21 36 1 6 {} {0.625051691708 0.621731423917 0.35078435364} C4 37 1 14 {} {0.581696603508 0.56018983874 0.388694827155} Si6 38 1 14 {} {0.618601628263 0.710255654509 0.387218755754} Si7 39 1 8 {} {0.533817501653 0.602015388859 0.383987954441} O5 40 1 8 {} {0.580054727775 0.495958856357 0.32081984646} O6 41 1 6 {} {0.591306521273 0.52700504236 0.503284443003} C5 42 1 6 {} {0.635699806651 0.726852004212 0.504921928611} C6 43 1 8 {} {0.563780249714 0.725799728464 0.376007256427} O7 44 1 8 {} {0.645573305007 0.760109731848 0.31712446176} O8 45 1 14 {} {0.574124541758 0.434683904984 0.248943644592} Si8 46 1 7 {} {0.586605405891 0.356487848642 0.292004267012} N4 47 1 14 {} {0.543049754138 0.299848336448 0.314917202353} Si9 48 1 14 {} {0.641197767849 0.330760355277 0.316812678382} Si10 49 1 7 {} {0.682113664989 0.376932380346 0.265424053596} N5 50 1 7 {} {0.519261316246 0.256535396973 0.227685639768} N6 51 1 1 {} {0.658866715375 0.604470789399 0.367859410608} H22 52 1 1 {} {0.623418570517 0.622188639202 0.277212022922} H23 53 1 1 {} {0.53910941385 0.651004490528 0.379514752841} H24 54 1 1 {} {0.623081851552 0.499741155661 0.50757524182} H25 55 1 1 {} {0.564657431324 0.491943617123 0.522175628029} H26 56 1 1 {} {0.591956197639 0.567301532682 0.553193178638} H27 57 1 1 {} {0.630207211131 0.779570266743 0.523070585036} H28 58 1 1 {} {0.671216077514 0.715362161211 0.514808403568} H29 59 1 1 {} {0.616456548076 0.69615268206 0.552173637613} H30 60 1 1 {} {0.552167969245 0.770944683423 0.372721678933} H31 61 1 1 {} {0.663328588458 0.795859289402 0.34236034296} H32 62 1 1 {} {0.526609429311 0.432195442685 0.219909038032} H33 63 1 1 {} {0.603367996897 0.45017549974 0.171364126408} H34 64 1 1 {} {0.562925513454 0.248973684604 0.375945587563} H35 65 1 1 {} {0.506127055965 0.337551507314 0.357998443155} H36 66 1 1 {} {0.650551432551 0.336663995332 0.414267389071} H37 67 1 1 {} {0.645034629479 0.259371712474 0.288547091383} H38 68 1 1 {} {0.695807470561 0.417439201541 0.295815958707} H39 69 1 1 {} {0.685227969163 0.379640360329 0.198088615856} H40 70 1 1 {} {0.496815608031 0.279338103913 0.187014517369} H41 71 1 1 {} {0.536611317901 0.220897544781 0.194055404201} 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