#MD System 2.0 @Title neb0_image04 @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 {} {0.210264872116 0.527767023923 0.318232791873} C1 1 1 14 {} {0.264179021401 0.490771040441 0.276432856517} Si1 2 1 14 {} {0.163580735884 0.536277352989 0.237212793513} Si2 3 1 8 {} {0.276778704523 0.523847119439 0.178607700282} O1 4 1 8 {} {0.304188365311 0.511059128689 0.347357829966} O2 5 1 6 {} {0.262232234318 0.397620977997 0.269378375715} C2 6 1 6 {} {0.132036460403 0.456553975984 0.219515672024} C3 7 1 8 {} {0.188080843155 0.562077782341 0.142944260731} O3 8 1 8 {} {0.12824098768 0.59734243369 0.264185793311} O4 9 1 14 {} {0.355656778734 0.540044313248 0.352503595961} Si3 10 1 7 {} {0.390416725049 0.477085297374 0.394108007609} N1 11 1 14 {} {0.44464433341 0.475433744734 0.353008370963} Si4 12 1 14 {} {0.370020764009 0.422860088684 0.476943125322} Si5 13 1 7 {} {0.34089890531 0.46067230295 0.562287572897} N2 14 1 7 {} {0.466411200851 0.555101658289 0.358857628008} N3 15 1 1 {} {0.198669688755 0.499148590834 0.376683418538} H1 16 1 1 {} {0.218118428513 0.578586621553 0.342395706734} H2 17 1 1 {} {0.25127010594 0.543989146083 0.147859046079} H3 18 1 1 {} {0.25708516254 0.374610102393 0.335205426119} H4 19 1 1 {} {0.293955914184 0.378553420137 0.242635255315} H5 20 1 1 {} {0.235473419097 0.38049122422 0.224712897828} H6 21 1 1 {} {0.10552357121 0.462732364894 0.16943700641} H7 22 1 1 {} {0.11649952216 0.438784530727 0.281692983725} H8 23 1 1 {} {0.154446764127 0.416734655984 0.19587537676} H9 24 1 1 {} {0.169586265779 0.585177438761 0.0997577062766} H10 25 1 1 {} {0.0998542293739 0.585029389314 0.290236255082} H11 26 1 1 {} {0.372048025887 0.559941211122 0.262652306896} H12 27 1 1 {} {0.354535243756 0.598789258832 0.413496765831} H13 28 1 1 {} {0.468873534785 0.423177918256 0.405817625504} H14 29 1 1 {} {0.446958906822 0.458150223762 0.256495290365} H15 30 1 1 {} {0.338551528731 0.373713101505 0.436623493455} H16 31 1 1 {} {0.409501100885 0.388611775226 0.516171922949} H17 32 1 1 {} {0.30928663887 0.47715505171 0.551372280366} H18 33 1 1 {} {0.356890562989 0.491052775858 0.606286187723} H19 34 1 1 {} {0.48965492597 0.570150877223 0.313554375894} H20 35 1 1 {} {0.472348166522 0.577410710671 0.418705014654} H21 36 1 6 {} {0.649936683476 0.638038485909 0.494419568395} C4 37 1 14 {} {0.610525204685 0.57423771924 0.446684674117} Si6 38 1 14 {} {0.647603440437 0.724728615405 0.449626159007} Si7 39 1 8 {} {0.608053465567 0.582504795593 0.336847369891} O5 40 1 8 {} {0.630156856777 0.499540280407 0.47083221994} O6 41 1 6 {} {0.553573845091 0.580378164693 0.496141021536} C5 42 1 6 {} {0.599987405952 0.775199602098 0.494292935493} C6 43 1 8 {} {0.643293679488 0.713936475692 0.339106470944} O7 44 1 8 {} {0.695136111394 0.766079536697 0.46526124446} O8 45 1 14 {} {0.640737664306 0.421576571536 0.442976423963} Si8 46 1 7 {} {0.595407633841 0.369446417596 0.461053741763} N4 47 1 14 {} {0.575837100207 0.320182175056 0.372537758368} Si9 48 1 14 {} {0.570734218966 0.366132925097 0.567549884213} Si10 49 1 7 {} {0.605949237051 0.384865505435 0.654517491486} N5 50 1 7 {} {0.610890571024 0.257503062425 0.335221972517} N6 51 1 1 {} {0.645798367056 0.639598690266 0.567519344956} H22 52 1 1 {} {0.683987624839 0.619304710608 0.481998195723} H23 53 1 1 {} {0.620463799255 0.624881320514 0.315049059646} H24 54 1 1 {} {0.55356225523 0.570482823501 0.567997530042} H25 55 1 1 {} {0.531778466714 0.543346725031 0.464226488747} H26 56 1 1 {} {0.538976564215 0.630328824459 0.484831192576} H27 57 1 1 {} {0.599226228553 0.825600610117 0.46490754264} H28 58 1 1 {} {0.602036688684 0.780685584066 0.567260349304} H29 59 1 1 {} {0.567906033937 0.751012109124 0.479115648866} H30 60 1 1 {} {0.651293433876 0.751352442791 0.301143723319} H31 61 1 1 {} {0.695532154753 0.801102427097 0.509859407595} H32 62 1 1 {} {0.652290014067 0.41656324589 0.346170628029} H33 63 1 1 {} {0.679946677929 0.401231748845 0.497740356478} H34 64 1 1 {} {0.534094614289 0.288210732099 0.405358688233} H35 65 1 1 {} {0.56768093487 0.363065723421 0.292910353874} H36 66 1 1 {} {0.533541515563 0.415489476081 0.573759197102} H37 67 1 1 {} {0.553542537834 0.296651524653 0.57922385906} H38 68 1 1 {} {0.612530660033 0.433462820073 0.66940954699} H39 69 1 1 {} {0.63297832343 0.355768907467 0.667604357377} H40 70 1 1 {} {0.6355038415 0.268576460148 0.29095177318} H41 71 1 1 {} {0.620421355899 0.219731069896 0.376459229543} 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