#MD System 2.0 @Title neb0_image05 @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 {} {0.214475870225 0.526996611206 0.323676012631} C1 1 1 14 {} {0.268163015668 0.489367003514 0.282801658324} Si1 2 1 14 {} {0.167788239628 0.535192270658 0.243699690161} Si2 3 1 8 {} {0.280791289736 0.519632609495 0.1833302102} O1 4 1 8 {} {0.306784662084 0.512111123658 0.354953504616} O2 5 1 6 {} {0.266299320494 0.396066120892 0.27702817783} C2 6 1 6 {} {0.136380794344 0.455469292477 0.225913466494} C3 7 1 8 {} {0.191740929316 0.562274390027 0.149420380487} O3 8 1 8 {} {0.132202238923 0.595376480952 0.273280409787} O4 9 1 14 {} {0.358461387778 0.53942765131 0.358487710682} Si3 10 1 7 {} {0.391843626188 0.47404086873 0.397230719154} N1 11 1 14 {} {0.443895099335 0.472546953467 0.346268414369} Si4 12 1 14 {} {0.373531868582 0.421166433335 0.48275924566} Si5 13 1 7 {} {0.34484883693 0.459462338152 0.569151818942} N2 14 1 7 {} {0.455613625014 0.556650121989 0.334982325105} N3 15 1 1 {} {0.203106531414 0.498941281294 0.382735088964} H1 16 1 1 {} {0.22280582623 0.57774137137 0.347453536504} H2 17 1 1 {} {0.256004414277 0.542655830138 0.153619762582} H3 18 1 1 {} {0.260758141814 0.372655553063 0.342499739335} H4 19 1 1 {} {0.297890316715 0.376719554341 0.249987293029} H5 20 1 1 {} {0.239518121962 0.379710490065 0.23178048297} H6 21 1 1 {} {0.109876068596 0.462128080829 0.176060681262} H7 22 1 1 {} {0.120688906226 0.438450331338 0.288232216189} H8 23 1 1 {} {0.158169211634 0.414853530849 0.202608810246} H9 24 1 1 {} {0.172825147918 0.58503514259 0.106822128959} H10 25 1 1 {} {0.103975714867 0.581696155165 0.298661272514} H11 26 1 1 {} {0.374442672576 0.559239705447 0.269225748435} H12 27 1 1 {} {0.358821370792 0.597563958111 0.421507235638} H13 28 1 1 {} {0.47332916557 0.431737651222 0.403800120991} H14 29 1 1 {} {0.446123591722 0.441986361601 0.254138195212} H15 30 1 1 {} {0.34189774104 0.370752170959 0.445751432965} H16 31 1 1 {} {0.413463084 0.387883652585 0.522579128674} H17 32 1 1 {} {0.313164617798 0.476161839216 0.558150217538} H18 33 1 1 {} {0.360343683475 0.49069547916 0.612817416803} H19 34 1 1 {} {0.487246409747 0.564563111681 0.312013586382} H20 35 1 1 {} {0.450221956364 0.58404374842 0.392246512136} H21 36 1 6 {} {0.65278293512 0.64089870802 0.487924645248} C4 37 1 14 {} {0.611774022228 0.57712398621 0.447783787317} Si6 38 1 14 {} {0.645287450598 0.727063861278 0.441974203891} Si7 39 1 8 {} {0.599251938107 0.586148097681 0.341412746913} O5 40 1 8 {} {0.630802147923 0.501012980846 0.465190845145} O6 41 1 6 {} {0.559007612314 0.581257935488 0.511255573104} C5 42 1 6 {} {0.596440860419 0.775969522806 0.487053637626} C6 43 1 8 {} {0.639729099902 0.71542901243 0.331900354957} O7 44 1 8 {} {0.691994152047 0.771457190522 0.455365894045} O8 45 1 14 {} {0.637685795348 0.422319281831 0.436902468628} Si8 46 1 7 {} {0.591452416117 0.371286109535 0.454340731557} N4 47 1 14 {} {0.571294675078 0.321594244808 0.365168351531} Si9 48 1 14 {} {0.566982150941 0.366328541445 0.561169371596} Si10 49 1 7 {} {0.601741452173 0.385670665116 0.64687133683} N5 50 1 7 {} {0.605781743619 0.257936771529 0.32717337531} N6 51 1 1 {} {0.646594742369 0.642491341929 0.560452494378} H22 52 1 1 {} {0.688209455702 0.627102882205 0.477724459442} H23 53 1 1 {} {0.613349081607 0.62381675113 0.31132726802} H24 54 1 1 {} {0.562368332181 0.58209244943 0.584923762913} H25 55 1 1 {} {0.542410114162 0.534721507169 0.489961802252} H26 56 1 1 {} {0.538704014196 0.624153477136 0.490568764898} H27 57 1 1 {} {0.595281676343 0.826615117148 0.457802004938} H28 58 1 1 {} {0.598324380078 0.782133685784 0.559992685202} H29 59 1 1 {} {0.564176371745 0.752059859145 0.472209079748} H30 60 1 1 {} {0.647205596535 0.752056261628 0.292110987546} H31 61 1 1 {} {0.692129292281 0.80429086311 0.503306195585} H32 62 1 1 {} {0.648204155561 0.417270366603 0.34000241942} H33 63 1 1 {} {0.676671997848 0.400994282765 0.491528238391} H34 64 1 1 {} {0.529770803644 0.2893943755 0.399599575001} H35 65 1 1 {} {0.563468968093 0.364502159216 0.286199395603} H36 66 1 1 {} {0.529075616128 0.414884301166 0.568993109607} H37 67 1 1 {} {0.54975859735 0.296891661991 0.571971701463} H38 68 1 1 {} {0.607817730723 0.434879531078 0.663319822044} H39 69 1 1 {} {0.629338901288 0.356294908381 0.661310658563} H40 70 1 1 {} {0.630381146789 0.268933086975 0.28287721583} H41 71 1 1 {} {0.614934844078 0.219231818259 0.366464840617} 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