#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 {} {0.215778548168 0.526740997766 0.327009493733} C1 1 1 14 {} {0.269635349628 0.489690874914 0.285139588938} Si1 2 1 14 {} {0.169083038784 0.535214365223 0.246121671494} Si2 3 1 8 {} {0.282231687003 0.522498910772 0.187151924198} O1 4 1 8 {} {0.309455552932 0.510372796631 0.356214537342} O2 5 1 6 {} {0.267754288077 0.396512679766 0.278423913823} C2 6 1 6 {} {0.13752303085 0.45551121608 0.228288653928} C3 7 1 8 {} {0.1935659829 0.561317607997 0.151938193542} O3 8 1 8 {} {0.133652631004 0.596180894732 0.273277744132} O4 9 1 14 {} {0.360958543848 0.53912808786 0.361213427811} Si3 10 1 7 {} {0.395314854009 0.475591901403 0.40271244975} N1 11 1 14 {} {0.449114453307 0.474078672452 0.359082668064} Si4 12 1 14 {} {0.37530402101 0.421598828996 0.486181370388} Si5 13 1 7 {} {0.34626073896 0.459606858704 0.571592528392} N2 14 1 7 {} {0.467738093191 0.555930255945 0.360805323275} N3 15 1 1 {} {0.204154015657 0.498174670976 0.385514798574} H1 16 1 1 {} {0.223632289926 0.577593783274 0.351101055963} H2 17 1 1 {} {0.256774349956 0.542970055461 0.156637351882} H3 18 1 1 {} {0.262562552433 0.37348713822 0.344234096501} H4 19 1 1 {} {0.299461131096 0.377479089599 0.251615878703} H5 20 1 1 {} {0.240963314471 0.379545339962 0.233667581796} H6 21 1 1 {} {0.11098220326 0.461761337599 0.178282099286} H7 22 1 1 {} {0.121965651686 0.437859649876 0.290516500419} H8 23 1 1 {} {0.159865590006 0.415605865847 0.204722018815} H9 24 1 1 {} {0.175021306382 0.584219766378 0.1086779435} H10 25 1 1 {} {0.105301026934 0.583770217101 0.299290277542} H11 26 1 1 {} {0.377441677627 0.558972156149 0.271365572344} H12 27 1 1 {} {0.360074251585 0.597919889683 0.422632039753} H13 28 1 1 {} {0.474344071144 0.423510530856 0.413638045163} H14 29 1 1 {} {0.451888630098 0.454603367627 0.262878724664} H15 30 1 1 {} {0.343912120083 0.372413315269 0.44571059492} H16 31 1 1 {} {0.415036442874 0.387606645076 0.525052091364} H17 32 1 1 {} {0.314670363884 0.476193315305 0.560245022872} H18 33 1 1 {} {0.362291160882 0.490201216735 0.615325774676} H19 34 1 1 {} {0.493941504743 0.567765749722 0.320038164568} H20 35 1 1 {} {0.471762360496 0.577383709401 0.421893044633} H21 36 1 6 {} {0.645741162898 0.639677279336 0.485583529608} C4 37 1 14 {} {0.606416135147 0.575841129584 0.439377984111} Si6 38 1 14 {} {0.64226211944 0.726027767944 0.440478123633} Si7 39 1 8 {} {0.601921303216 0.583896871641 0.32969610035} O5 40 1 8 {} {0.625294885623 0.500411732164 0.461806973287} O6 41 1 6 {} {0.550435836496 0.582001485863 0.492077434651} C5 42 1 6 {} {0.59448763503 0.776138524371 0.485320764768} C6 43 1 8 {} {0.638064104803 0.714806737749 0.330096764913} O7 44 1 8 {} {0.689736875644 0.767474056855 0.456240787888} O8 45 1 14 {} {0.635363758424 0.422384758991 0.434105864858} Si8 46 1 7 {} {0.589906768131 0.370435203222 0.452287196841} N4 47 1 14 {} {0.570392448003 0.321155290862 0.363714707112} Si9 48 1 14 {} {0.565188643425 0.367090791847 0.558748000967} Si10 49 1 7 {} {0.600597189209 0.385874304195 0.645372898579} N5 50 1 7 {} {0.605316915252 0.258393550821 0.326108185266} N6 51 1 1 {} {0.640546016945 0.640600919516 0.55837884913} H22 52 1 1 {} {0.679822552723 0.62108279766 0.473351462629} H23 53 1 1 {} {0.614657566541 0.625560019964 0.306387480858} H24 54 1 1 {} {0.550416144139 0.573428484313 0.564633672028} H25 55 1 1 {} {0.530925430724 0.54191461007 0.460473600875} H26 56 1 1 {} {0.534581384507 0.630464446024 0.477957740968} H27 57 1 1 {} {0.593745371397 0.826584852788 0.455966210958} H28 58 1 1 {} {0.596581984492 0.781718885342 0.558248190672} H29 59 1 1 {} {0.56236872321 0.752097878798 0.470255749214} H30 60 1 1 {} {0.645822150263 0.752314461262 0.292102823883} H31 61 1 1 {} {0.690017270292 0.802349240376 0.501114648507} H32 62 1 1 {} {0.646780832055 0.417576603892 0.337249581645} H33 63 1 1 {} {0.674572644152 0.402233686125 0.488954827124} H34 64 1 1 {} {0.528619610992 0.289228114626 0.396631040752} H35 65 1 1 {} {0.562221877487 0.364149133891 0.284124335099} H36 66 1 1 {} {0.528093588106 0.416424826603 0.565568440831} H37 67 1 1 {} {0.548049450074 0.297624440904 0.570457692762} H38 68 1 1 {} {0.606930408292 0.434529559123 0.660695461853} H39 69 1 1 {} {0.627546707442 0.356670899446 0.658853265166} H40 70 1 1 {} {0.629958618726 0.269532599826 0.281963433252} H41 71 1 1 {} {0.614876928768 0.220595263786 0.367232077862} 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