#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 {} {0.367264934669 0.571075716807 0.412452755568} C1 1 1 14 {} {0.344357115235 0.544529298375 0.522839283139} Si1 2 1 14 {} {0.428843352701 0.580684441359 0.40799085479} Si2 3 1 8 {} {0.357582661237 0.601375482445 0.598695633417} O1 4 1 8 {} {0.289460134907 0.542737118645 0.515629369611} O2 5 1 6 {} {0.363352618472 0.459338478669 0.557441510862} C2 6 1 6 {} {0.458014298486 0.498627505917 0.393129513064} C3 7 1 8 {} {0.442087198414 0.616267287458 0.506537721949} O3 8 1 8 {} {0.441008875104 0.633354394061 0.325500797071} O4 9 1 14 {} {0.239107655429 0.547437830962 0.55688881925} Si3 10 1 7 {} {0.219470372725 0.469284130037 0.591092220303} N1 11 1 14 {} {0.197075227846 0.461007173799 0.698615820383} Si4 12 1 14 {} {0.219998147467 0.401576365303 0.515977935187} Si5 13 1 7 {} {0.213900016653 0.422559063951 0.405444658381} N2 14 1 7 {} {0.146604837563 0.499972513932 0.718922593505} N3 15 1 1 {} {0.35779870727 0.535335171706 0.359737949491} H1 16 1 1 {} {0.352182616447 0.619715575782 0.39502910989} H2 17 1 1 {} {0.387470925711 0.61959027306 0.588964991616} H3 18 1 1 {} {0.354712945165 0.420747509253 0.508091810979} H4 19 1 1 {} {0.347635160254 0.445497047446 0.621091237393} H5 20 1 1 {} {0.399665703341 0.458096162767 0.567419401744} H6 21 1 1 {} {0.493953530503 0.507428109077 0.39050628185} H7 22 1 1 {} {0.44860867941 0.474437317034 0.330069213145} H8 23 1 1 {} {0.451475802869 0.463370521002 0.447720912167} H9 24 1 1 {} {0.473079285038 0.629450014712 0.513165989664} H10 25 1 1 {} {0.472390399885 0.631813841745 0.308965159348} H11 26 1 1 {} {0.237419711771 0.591626820291 0.637130668269} H12 27 1 1 {} {0.210211452724 0.575497763449 0.485281441765} H13 28 1 1 {} {0.190382436007 0.387934906023 0.712901457156} H14 29 1 1 {} {0.228611466041 0.490211850759 0.764656082001} H15 30 1 1 {} {0.263253117431 0.364980020222 0.521858507758} H16 31 1 1 {} {0.182372124133 0.357041941005 0.542667030247} H17 32 1 1 {} {0.240931576049 0.43747594533 0.369661636464} H18 33 1 1 {} {0.185961866955 0.446265238573 0.383481166288} H19 34 1 1 {} {0.145833346753 0.549632213258 0.733692571384} H20 35 1 1 {} {0.118589208706 0.486225881227 0.685264253838} H21 36 1 6 {} {0.624611176431 0.621731051414 0.350709419566} C4 37 1 14 {} {0.58136052134 0.560027634775 0.388496400544} Si6 38 1 14 {} {0.618007593477 0.710093673331 0.387464943357} Si7 39 1 8 {} {0.533170503277 0.601383653125 0.38345633414} O5 40 1 8 {} {0.580582226018 0.495467894877 0.321061093411} O6 41 1 6 {} {0.59132474273 0.527047919902 0.503295583261} C5 42 1 6 {} {0.635563230292 0.72703209273 0.504828942226} C6 43 1 8 {} {0.563119630516 0.725573259736 0.376086153319} O7 44 1 8 {} {0.645200378164 0.759713846205 0.317399851607} O8 45 1 14 {} {0.574271938236 0.434513865175 0.248648433033} Si8 46 1 7 {} {0.58674020277 0.35631366651 0.291598877159} N4 47 1 14 {} {0.543097620223 0.299840424802 0.314808366532} Si9 48 1 14 {} {0.641299581197 0.330816803267 0.31671215192} Si10 49 1 7 {} {0.682260812484 0.377079178977 0.265410535901} N5 50 1 7 {} {0.519341848293 0.256728664654 0.227733576279} N6 51 1 1 {} {0.65821518507 0.603938349418 0.368779090681} H22 52 1 1 {} {0.622762086382 0.622283673041 0.277082799822} H23 53 1 1 {} {0.538035259477 0.650429266791 0.379368356497} H24 54 1 1 {} {0.623257216399 0.500039296137 0.507192202046} H25 55 1 1 {} {0.564807699375 0.491909291408 0.522787885495} H26 56 1 1 {} {0.591940055069 0.567566709296 0.55292904698} H27 57 1 1 {} {0.630252773703 0.779806706904 0.522883914035} H28 58 1 1 {} {0.67113049377 0.715578095059 0.514120425774} H29 59 1 1 {} {0.616533687494 0.696425406463 0.552460517366} H30 60 1 1 {} {0.551983899196 0.7710283323 0.372867180781} H31 61 1 1 {} {0.663114555168 0.795335556218 0.342527357783} H32 62 1 1 {} {0.526666231507 0.432250273902 0.219629855013} H33 63 1 1 {} {0.603511035707 0.450295595703 0.170959755825} H34 64 1 1 {} {0.563079440258 0.24908860416 0.376013104499} H35 65 1 1 {} {0.506294928619 0.33782486745 0.358095914325} H36 66 1 1 {} {0.650639915 0.336851981445 0.414209883942} H37 67 1 1 {} {0.645215517646 0.259389064502 0.288506805052} H38 68 1 1 {} {0.695808313903 0.417657562822 0.295770682053} H39 69 1 1 {} {0.685368460732 0.379845491827 0.198101733607} H40 70 1 1 {} {0.496968170439 0.27971190963 0.187012828524} H41 71 1 1 {} {0.536717886027 0.221115652476 0.194025243359} 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