#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 {} {0.217324885428 0.526402496364 0.329195078056} C1 1 1 14 {} {0.271179884439 0.489239682171 0.287934494507} Si1 2 1 14 {} {0.170856519824 0.534768389496 0.248979520395} Si2 3 1 8 {} {0.283598614027 0.519429254798 0.188336753379} O1 4 1 8 {} {0.309399160154 0.512570076276 0.360070757164} O2 5 1 6 {} {0.269741197766 0.395825880602 0.282298413642} C2 6 1 6 {} {0.139444297569 0.455092416438 0.230890898865} C3 7 1 8 {} {0.195315905188 0.562272092296 0.155402643373} O3 8 1 8 {} {0.135082124994 0.595083506297 0.277880142209} O4 9 1 14 {} {0.36097892592 0.538711460776 0.362800177795} Si3 10 1 7 {} {0.393681613069 0.472482405541 0.401558561339} N1 11 1 14 {} {0.445300967971 0.471750080285 0.348416367883} Si4 12 1 14 {} {0.376414110106 0.420310499025 0.487853222166} Si5 13 1 7 {} {0.347985147426 0.458886227468 0.5747355556} N2 14 1 7 {} {0.453794006339 0.556241645048 0.332147330838} N3 15 1 1 {} {0.20621192782 0.498053638689 0.388235864751} H1 16 1 1 {} {0.225894291356 0.577080555276 0.352989771742} H2 17 1 1 {} {0.258787294341 0.542449436789 0.158735169761} H3 18 1 1 {} {0.264421158303 0.372543356117 0.347979960063} H4 19 1 1 {} {0.301433152163 0.376543891784 0.255486986004} H5 20 1 1 {} {0.242971846069 0.378962983507 0.237275042432} H6 21 1 1 {} {0.112918360557 0.461649202326 0.181120465004} H7 22 1 1 {} {0.123842776994 0.438057155753 0.293305382868} H8 23 1 1 {} {0.161408049103 0.414681171674 0.207617225275} H9 24 1 1 {} {0.176582319118 0.584335083104 0.111917158697} H10 25 1 1 {} {0.107005595476 0.581607367312 0.303612131251} H11 26 1 1 {} {0.377085091432 0.558555711837 0.273797800219} H12 27 1 1 {} {0.362449245409 0.596851237303 0.425885516296} H13 28 1 1 {} {0.476115905982 0.434825952263 0.406070391799} H14 29 1 1 {} {0.44855892654 0.438454964985 0.25659199414} H15 30 1 1 {} {0.345006517517 0.369886677552 0.452183887057} H16 31 1 1 {} {0.41650878875 0.387723475574 0.527868011952} H17 32 1 1 {} {0.316358262135 0.475868733973 0.563875015378} H18 33 1 1 {} {0.363511696445 0.490104815144 0.618486578386} H19 34 1 1 {} {0.485922248559 0.56547628402 0.316155475893} H20 35 1 1 {} {0.444946191876 0.584497518879 0.384911821212} H21 36 1 6 {} {0.650981357583 0.641332741081 0.482917830666} C4 37 1 14 {} {0.610726992132 0.577903137355 0.443046292893} Si6 38 1 14 {} {0.642448509836 0.727278640446 0.436814808701} Si7 39 1 8 {} {0.59633789681 0.586710333651 0.337834142227} O5 40 1 8 {} {0.628772040369 0.50129913432 0.459565616099} O6 41 1 6 {} {0.559575317101 0.581300289396 0.511543243062} C5 42 1 6 {} {0.593046318443 0.775846019935 0.481247055552} C6 43 1 8 {} {0.637824123233 0.715253967614 0.326468397746} O7 44 1 8 {} {0.688496563762 0.772995918623 0.450788017328} O8 45 1 14 {} {0.634714512963 0.422214350393 0.430615294317} Si8 46 1 7 {} {0.588324085192 0.372167194843 0.450782514118} N4 47 1 14 {} {0.567909984818 0.32192998557 0.359643486834} Si9 48 1 14 {} {0.563961246008 0.366563886357 0.556364147877} Si10 49 1 7 {} {0.598474574015 0.385675498908 0.641704967889} N5 50 1 7 {} {0.603193264462 0.258649617556 0.322473303425} N6 51 1 1 {} {0.643760055224 0.642870535866 0.554969848656} H22 52 1 1 {} {0.686647023427 0.628882422546 0.474377130822} H23 53 1 1 {} {0.610017474716 0.623859309349 0.30650265335} H24 54 1 1 {} {0.562927176262 0.585064928443 0.584347064166} H25 55 1 1 {} {0.545266136642 0.533205772787 0.493262476071} H26 56 1 1 {} {0.537226884447 0.622176390203 0.487561251752} H27 57 1 1 {} {0.591941570313 0.826529999562 0.452193134726} H28 58 1 1 {} {0.595021397339 0.782038631237 0.554221668378} H29 59 1 1 {} {0.560577869066 0.752472003656 0.466782174533} H30 60 1 1 {} {0.643968899877 0.752731080806 0.28703210969} H31 61 1 1 {} {0.688280799739 0.805429486553 0.499394728612} H32 62 1 1 {} {0.644816906726 0.416971923239 0.334512131768} H33 63 1 1 {} {0.673543225738 0.400474656701 0.486091627549} H34 64 1 1 {} {0.526790121916 0.28956587103 0.393850869044} H35 65 1 1 {} {0.560366747734 0.364496891719 0.281806642257} H36 66 1 1 {} {0.526153975495 0.416440094216 0.565322199627} H37 67 1 1 {} {0.546318794793 0.297643001325 0.567540438487} H38 68 1 1 {} {0.604961664191 0.435161266739 0.658827510259} H39 69 1 1 {} {0.626561930851 0.357072616516 0.656853790177} H40 70 1 1 {} {0.6274562415 0.269763213485 0.27780588902} H41 71 1 1 {} {0.612249247029 0.220056903604 0.362141732407} 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