#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 {} {0.358116582389 0.546651874731 0.414045158345} C1 1 1 14 {} {0.334760240366 0.520057445128 0.524762150413} Si1 2 1 14 {} {0.419746060991 0.55749893631 0.40966089381} Si2 3 1 8 {} {0.347962844171 0.576840983541 0.600732975525} O1 4 1 8 {} {0.279821919816 0.518390273583 0.517714640466} O2 5 1 6 {} {0.353730238284 0.434834394408 0.559434152339} C2 6 1 6 {} {0.451006656489 0.477304030693 0.395020492024} C3 7 1 8 {} {0.432764579053 0.592333104933 0.508577606744} O3 8 1 8 {} {0.432924163527 0.608873698468 0.326626917034} O4 9 1 14 {} {0.229396913104 0.522754106229 0.55899595189} Si3 10 1 7 {} {0.209737441857 0.444731140322 0.593158934498} N1 11 1 14 {} {0.187269918223 0.43643896628 0.700608839372} Si4 12 1 14 {} {0.210289197427 0.377032181197 0.518096960395} Si5 13 1 7 {} {0.204221441584 0.398277475616 0.407716842677} N2 14 1 7 {} {0.136860214473 0.475490526283 0.720733059552} N3 15 1 1 {} {0.348105302038 0.51091029546 0.361731929057} H1 16 1 1 {} {0.342498995434 0.595005793233 0.397028934707} H2 17 1 1 {} {0.377825689695 0.595196715078 0.5911746042} H3 18 1 1 {} {0.345025666277 0.396244429149 0.510121152705} H4 19 1 1 {} {0.338015488757 0.421000379411 0.623123255591} H5 20 1 1 {} {0.390056601548 0.433590441932 0.569417355145} H6 21 1 1 {} {0.48710498996 0.486799690999 0.391922148873} H7 22 1 1 {} {0.441433962003 0.452973487015 0.332051146312} H8 23 1 1 {} {0.444869687066 0.441721962028 0.449514885416} H9 24 1 1 {} {0.46343702765 0.607150644614 0.514830576309} H10 25 1 1 {} {0.464853670099 0.611908638162 0.315252424963} H11 26 1 1 {} {0.227711832751 0.567015278236 0.639245267176} H12 27 1 1 {} {0.200534315459 0.550950796629 0.487317765482} H13 28 1 1 {} {0.180587655877 0.363323453796 0.714898699712} H14 29 1 1 {} {0.218836479648 0.465606311067 0.766662032451} H15 30 1 1 {} {0.253589576632 0.340464193152 0.52392262872} H16 31 1 1 {} {0.172710089094 0.332360206833 0.54470685201} H17 32 1 1 {} {0.231221741467 0.41285706936 0.371607755056} H18 33 1 1 {} {0.17622137186 0.421600408048 0.385499092787} H19 34 1 1 {} {0.136078068258 0.525087471983 0.735794170942} H20 35 1 1 {} {0.108823443522 0.461698243016 0.687258193658} H21 36 1 6 {} {0.63270555626 0.645986269181 0.348963676462} C4 37 1 14 {} {0.589586757464 0.583522483689 0.386395765277} Si6 38 1 14 {} {0.627060928734 0.734469401658 0.385481893829} Si7 39 1 8 {} {0.539292140067 0.618978870146 0.380780721424} O5 40 1 8 {} {0.590388047384 0.518927436334 0.319251263787} O6 41 1 6 {} {0.600656497909 0.551537939429 0.5012618429} C5 42 1 6 {} {0.645222903227 0.75150948515 0.502652368852} C6 43 1 8 {} {0.572231820246 0.749310198535 0.373913664828} O7 44 1 8 {} {0.654865376018 0.783789171823 0.315615518366} O8 45 1 14 {} {0.583997511893 0.458686809228 0.246297143434} Si8 46 1 7 {} {0.596518840747 0.380520157139 0.289227339652} N4 47 1 14 {} {0.552917514175 0.324233536162 0.312847151414} Si9 48 1 14 {} {0.651079270991 0.355179089089 0.314566406039} Si10 49 1 7 {} {0.692131862584 0.401333070585 0.263480997643} N5 50 1 7 {} {0.528920064465 0.281050210356 0.225813110399} N6 51 1 1 {} {0.666107506607 0.627626177097 0.367699031038} H22 52 1 1 {} {0.631948798346 0.646775169091 0.275304350973} H23 53 1 1 {} {0.541462928223 0.668047212087 0.375947575645} H24 54 1 1 {} {0.632765849056 0.524961604114 0.503999186305} H25 55 1 1 {} {0.574545339993 0.516006845484 0.521584070122} H26 56 1 1 {} {0.601550311691 0.592079202873 0.550833156665} H27 57 1 1 {} {0.639961440858 0.804289904077 0.520818562658} H28 58 1 1 {} {0.680814007018 0.740110182691 0.512011276767} H29 59 1 1 {} {0.626231725005 0.720954688787 0.550389506907} H30 60 1 1 {} {0.561795142642 0.795157553383 0.371040057931} H31 61 1 1 {} {0.672743320093 0.819510641296 0.340676533075} H32 62 1 1 {} {0.536333988052 0.456656389278 0.217579199608} H33 63 1 1 {} {0.613201682126 0.474666894105 0.168744997214} H34 64 1 1 {} {0.57283424303 0.27344495265 0.373996260827} H35 65 1 1 {} {0.516099538101 0.362100434927 0.356094670616} H36 66 1 1 {} {0.660332546385 0.361267384775 0.412097003405} H37 67 1 1 {} {0.654853536066 0.283731464983 0.286465838717} H38 68 1 1 {} {0.705357574605 0.442198847656 0.293761635176} H39 69 1 1 {} {0.695083183074 0.404326641987 0.196036184589} H40 70 1 1 {} {0.506808522774 0.304335803095 0.184965372789} H41 71 1 1 {} {0.54636597305 0.245679084889 0.191991869744} 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