#MD System 2.0 @Title neb0_image02 @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 {} {0.205122676975 0.528884258026 0.309708107285} C1 1 1 14 {} {0.258979807479 0.49169721368 0.268168279989} Si1 2 1 14 {} {0.158350215073 0.537172183762 0.228894935305} Si2 3 1 8 {} {0.271538711389 0.524231020799 0.170004309897} O1 4 1 8 {} {0.299195405283 0.511950501751 0.338813477027} O2 5 1 6 {} {0.257017034641 0.398536782636 0.261313592337} C2 6 1 6 {} {0.126793796339 0.457460589469 0.211185177852} C3 7 1 8 {} {0.182699817758 0.562764312716 0.134388900831} O3 8 1 8 {} {0.123096688616 0.598268840602 0.256355268908} O4 9 1 14 {} {0.350575214733 0.541087731922 0.344302883615} Si3 10 1 7 {} {0.385373796389 0.478226269577 0.385919066023} N1 11 1 14 {} {0.43962459033 0.476187135137 0.344451870604} Si4 12 1 14 {} {0.36505608625 0.423906780011 0.468740788432} Si5 13 1 7 {} {0.335655394951 0.46136545408 0.554067683711} N2 14 1 7 {} {0.461615427879 0.555877202609 0.35049281209} N3 15 1 1 {} {0.19352189709 0.500250999594 0.368151072126} H1 16 1 1 {} {0.213072021661 0.579719895069 0.333688070564} H2 17 1 1 {} {0.246239763116 0.544934054829 0.139238057563} H3 18 1 1 {} {0.251816127454 0.375255566549 0.326927771138} H4 19 1 1 {} {0.288712223384 0.379385526364 0.234606048165} H5 20 1 1 {} {0.230250793293 0.381615181736 0.216487064047} H6 21 1 1 {} {0.100342344158 0.463841766521 0.160996005607} H7 22 1 1 {} {0.111177416186 0.439791582504 0.273335037142} H8 23 1 1 {} {0.149193261984 0.41762428112 0.187579359462} H9 24 1 1 {} {0.164199380023 0.586206391842 0.0915000178907} H10 25 1 1 {} {0.0946779554189 0.585785954522 0.28219424913} H11 26 1 1 {} {0.366986927719 0.561124550635 0.254620105957} H12 27 1 1 {} {0.349393071019 0.599800779706 0.405283618522} H13 28 1 1 {} {0.463615999396 0.423827796776 0.397031252021} H14 29 1 1 {} {0.44172117419 0.458777531158 0.247865833343} H15 30 1 1 {} {0.33363423629 0.374778706319 0.428189945101} H16 31 1 1 {} {0.40451051268 0.389511800594 0.507748109467} H17 32 1 1 {} {0.304080392123 0.477860111548 0.542702439597} H18 33 1 1 {} {0.35149503062 0.492158016099 0.597817271886} H19 34 1 1 {} {0.484671591672 0.570876563675 0.304931846958} H20 35 1 1 {} {0.467189765058 0.578393278303 0.410240920724} H21 36 1 6 {} {0.655180978984 0.637255477147 0.502675113935} C4 37 1 14 {} {0.615671444333 0.573295297472 0.455316114771} Si6 38 1 14 {} {0.652668666431 0.72387804919 0.457932378136} Si7 39 1 8 {} {0.612833697946 0.58173281581 0.345662243229} O5 40 1 8 {} {0.635618496169 0.498705295822 0.479247830232} O6 41 1 6 {} {0.55867905376 0.579405104619 0.504944716999} C5 42 1 6 {} {0.605119433909 0.774395028311 0.502816125634} C6 43 1 8 {} {0.648397098078 0.712979360856 0.347392907916} O7 44 1 8 {} {0.700204045367 0.765511205815 0.473170652988} O8 45 1 14 {} {0.646025985668 0.420774171068 0.451562729378} Si8 46 1 7 {} {0.600747523379 0.368430101433 0.469320120367} N4 47 1 14 {} {0.581239570488 0.31931530932 0.380871431117} Si9 48 1 14 {} {0.575912447966 0.364965736244 0.575372380751} Si10 49 1 7 {} {0.611262612559 0.383976179197 0.662084388292} N5 50 1 7 {} {0.615787371353 0.256350030978 0.342889220399} N6 51 1 1 {} {0.651106505777 0.638671222974 0.575747735464} H22 52 1 1 {} {0.689310523651 0.618794711018 0.490101810152} H23 53 1 1 {} {0.625492142743 0.623782885382 0.323474847447} H24 54 1 1 {} {0.558537285829 0.56981685421 0.577164898223} H25 55 1 1 {} {0.536922828282 0.542130695373 0.473066274838} H26 56 1 1 {} {0.544068577747 0.629146360323 0.493404464951} H27 57 1 1 {} {0.604375442674 0.824763464731 0.473212542274} H28 58 1 1 {} {0.607150333608 0.779989485836 0.575770035234} H29 59 1 1 {} {0.573037545108 0.750275869498 0.487654006323} H30 60 1 1 {} {0.65651922978 0.75032595948 0.309386841509} H31 61 1 1 {} {0.700636636868 0.800284421761 0.51809973798} H32 62 1 1 {} {0.657452348854 0.415661541068 0.354548085991} H33 63 1 1 {} {0.685234339968 0.400401387777 0.506368302366} H34 64 1 1 {} {0.539315863034 0.287732737901 0.413807669887} H35 65 1 1 {} {0.572928006501 0.362345678472 0.301318062774} H36 66 1 1 {} {0.53858915035 0.414091887184 0.582612654169} H37 67 1 1 {} {0.55895070736 0.295309955177 0.587763179737} H38 68 1 1 {} {0.617527049241 0.432693433105 0.677782497534} H39 69 1 1 {} {0.638252483275 0.354834292928 0.676297347683} H40 70 1 1 {} {0.640432599468 0.267569549879 0.298921983437} H41 71 1 1 {} {0.625293295112 0.21857473434 0.384105569177} 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