#MD System 2.0 @Title neb0_image08 @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 {} {0.220879344728 0.525815454339 0.335412985884} C1 1 1 14 {} {0.274824737849 0.488832145924 0.293609773552} Si1 2 1 14 {} {0.174197763651 0.534297292654 0.254401352018} Si2 3 1 8 {} {0.287399163436 0.52192879334 0.195804225932} O1 4 1 8 {} {0.3147618956 0.509182419071 0.364524298346} O2 5 1 6 {} {0.272847119096 0.395638970549 0.286559698374} C2 6 1 6 {} {0.142638644834 0.454591415413 0.236669855944} C3 7 1 8 {} {0.198695802912 0.560207995116 0.160150752917} O3 8 1 8 {} {0.138835796792 0.595381127858 0.281326623091} O4 9 1 14 {} {0.366276230824 0.538044590925 0.369543840091} Si3 10 1 7 {} {0.400550052027 0.474898279135 0.411669642895} N1 11 1 14 {} {0.45407646576 0.472083863937 0.368484948402} Si4 12 1 14 {} {0.380527026638 0.420956420357 0.494400620171} Si5 13 1 7 {} {0.351458118427 0.458722820829 0.579624790776} N2 14 1 7 {} {0.472975958753 0.554497725232 0.369660664471} N3 15 1 1 {} {0.209265139529 0.497196721028 0.393889536909} H1 16 1 1 {} {0.228720611686 0.576653702141 0.359583718979} H2 17 1 1 {} {0.261873886913 0.542033233364 0.165035449931} H3 18 1 1 {} {0.267686411495 0.372666988047 0.352398656816} H4 19 1 1 {} {0.304560061467 0.37661006822 0.259799777427} H5 20 1 1 {} {0.246067634878 0.378546526454 0.241865318512} H6 21 1 1 {} {0.116124070436 0.460782474706 0.186609334219} H7 22 1 1 {} {0.127100816034 0.436841920077 0.298859702966} H8 23 1 1 {} {0.165042465514 0.414789296154 0.213049387388} H9 24 1 1 {} {0.180175262909 0.583237050218 0.116905734769} H10 25 1 1 {} {0.1104482092 0.583066029283 0.30741654656} H11 26 1 1 {} {0.382617733892 0.558001312563 0.279816891077} H12 27 1 1 {} {0.365154685652 0.596827611189 0.430674230872} H13 28 1 1 {} {0.479459810568 0.421917904287 0.422551718415} H14 29 1 1 {} {0.457588025303 0.455600550369 0.272722502192} H15 30 1 1 {} {0.349192884505 0.371803508826 0.45379405723} H16 31 1 1 {} {0.420105606797 0.386708828962 0.533230260043} H17 32 1 1 {} {0.319906610697 0.475197384265 0.56849661855} H18 33 1 1 {} {0.367492499134 0.489096507545 0.623454471287} H19 34 1 1 {} {0.498970547937 0.567702382057 0.330865349968} H20 35 1 1 {} {0.47806279231 0.575992672501 0.429744018078} H21 36 1 6 {} {0.639739659436 0.640236878445 0.477199533885} C4 37 1 14 {} {0.601145877407 0.57662137965 0.430009384745} Si6 38 1 14 {} {0.637008930024 0.726646385854 0.432394253112} Si7 39 1 8 {} {0.597130093841 0.584588181926 0.320388132785} O5 40 1 8 {} {0.619586959152 0.501269813027 0.453513559017} O6 41 1 6 {} {0.545782241349 0.58409915541 0.482832590762} C5 42 1 6 {} {0.589392403678 0.777098283815 0.477125173428} C6 43 1 8 {} {0.632678083792 0.715846093207 0.321916714164} O7 44 1 8 {} {0.684589167319 0.76805549821 0.44806481881} O8 45 1 14 {} {0.630125879019 0.423467585444 0.425833735392} Si8 46 1 7 {} {0.584790057612 0.371362665421 0.443828719748} N4 47 1 14 {} {0.565346826056 0.321993897651 0.355416969523} Si9 48 1 14 {} {0.560102379747 0.368038206962 0.550280615172} Si10 49 1 7 {} {0.59537370784 0.386768670756 0.637067982292} N5 50 1 7 {} {0.600259871685 0.259310836298 0.317874520905} N6 51 1 1 {} {0.635169312734 0.641495102702 0.550151632018} H22 52 1 1 {} {0.67360935612 0.621355535411 0.464817921686} H23 53 1 1 {} {0.609751747544 0.626666494826 0.298039538617} H24 54 1 1 {} {0.54379060408 0.572791865759 0.554544567414} H25 55 1 1 {} {0.526961133431 0.543901106844 0.451997915838} H26 56 1 1 {} {0.529233130724 0.631456900714 0.468502470124} H27 57 1 1 {} {0.588622004201 0.82754602201 0.447734204019} H28 58 1 1 {} {0.591433314722 0.782632517825 0.550065887675} H29 59 1 1 {} {0.557312355566 0.752977569293 0.46195104743} H30 60 1 1 {} {0.64067731164 0.753271888986 0.283988145106} H31 61 1 1 {} {0.684930249697 0.803075447394 0.492694329774} H32 62 1 1 {} {0.641676155235 0.418535757889 0.32901148644} H33 63 1 1 {} {0.669333462206 0.403254314493 0.480567978759} H34 64 1 1 {} {0.523510433173 0.290198110526 0.388263396191} H35 65 1 1 {} {0.557083357939 0.365001681167 0.275945501577} H36 66 1 1 {} {0.523033950336 0.417461382614 0.55709234132} H37 67 1 1 {} {0.542919475022 0.298598572 0.562158105166} H38 68 1 1 {} {0.601921349281 0.435393566807 0.652341191623} H39 69 1 1 {} {0.622424529642 0.357689733548 0.650517398989} H40 70 1 1 {} {0.624876605263 0.270547152812 0.27382582764} H41 71 1 1 {} {0.609795990775 0.221696709439 0.359243178296} 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