#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 {} {0.25333872988 0.521904242303 0.374778498913} C1 1 1 14 {} {0.302339984489 0.47870769106 0.343107177415} Si1 2 1 14 {} {0.208457213315 0.522155501781 0.29934335121} Si2 3 1 8 {} {0.310152132612 0.459540753173 0.213396111714} O1 4 1 8 {} {0.331200597064 0.542176538121 0.411121878437} O2 5 1 6 {} {0.31002644825 0.384558052994 0.357277718974} C2 6 1 6 {} {0.175571111639 0.445352590653 0.283158615198} C3 7 1 8 {} {0.235170942687 0.581785682954 0.229511236577} O3 8 1 8 {} {0.171544629674 0.559146607444 0.366116387955} O4 9 1 14 {} {0.385978181976 0.548847203324 0.412897862319} Si3 10 1 7 {} {0.369528636439 0.425929303383 0.44075752619} N1 11 1 14 {} {0.337582498358 0.373062372722 0.0859951868261} Si4 12 1 14 {} {0.400113762111 0.39879792942 0.581718435335} Si5 13 1 7 {} {0.37106317616 0.443756068857 0.666545351804} N2 14 1 7 {} {0.0132082447467 0.695270848259 -0.433599047149} N3 15 1 1 {} {0.245567038998 0.494088555001 0.435432605553} H1 16 1 1 {} {0.270750996166 0.571928924526 0.390345061889} H2 17 1 1 {} {0.298861003415 0.536614261689 0.199982184261} H3 18 1 1 {} {0.301278202917 0.351048922901 0.412441586548} H4 19 1 1 {} {0.339130360561 0.355849120974 0.332944485975} H5 20 1 1 {} {0.281923920664 0.377077027499 0.311148005476} H6 21 1 1 {} {0.148382772984 0.46279276834 0.237004502247} H7 22 1 1 {} {0.158339858764 0.440702251693 0.351496849256} H8 23 1 1 {} {0.191802094748 0.396640011633 0.266185597804} H9 24 1 1 {} {0.206549866197 0.584407456641 0.177477996155} H10 25 1 1 {} {0.138243973347 0.545079674884 0.387358513032} H11 26 1 1 {} {0.399922501007 0.554393513048 0.341109634023} H12 27 1 1 {} {0.405829967468 0.589381737399 0.496639314205} H13 28 1 1 {} {0.511088010142 0.591441944719 0.337021825791} H14 29 1 1 {} {0.432237275765 0.187276865343 0.110748753645} H15 30 1 1 {} {0.373115442976 0.338918150107 0.536094846419} H16 31 1 1 {} {0.456133811215 0.381735137169 0.57988707608} H17 32 1 1 {} {0.348366150078 0.47222950589 0.626830203233} H18 33 1 1 {} {0.386577097344 0.495011115945 0.683662261783} H19 34 1 1 {} {0.380859386919 0.436849676959 0.231464039496} H20 35 1 1 {} {-0.16621579364 0.68813994029 -0.291261955612} H21 36 1 6 {} {0.733649873181 0.693101123145 0.419985805469} C4 37 1 14 {} {0.719305770796 0.638910713781 0.536033192279} Si6 38 1 14 {} {0.624662492446 0.751724517622 0.355176662773} Si7 39 1 8 {} {0.481300047846 0.634783335812 0.451652087145} O5 40 1 8 {} {0.659652663779 0.50748964949 0.391239874419} O6 41 1 6 {} {0.813568015072 0.673117840251 1.00893996732} C5 42 1 6 {} {0.557226889994 0.780579624216 0.409749354226} C6 43 1 8 {} {0.63421819744 0.709130267253 0.24701561927} O7 44 1 8 {} {0.65338461697 0.83244906384 0.377581937071} O8 45 1 14 {} {0.611666806396 0.416386328384 0.394461137075} Si8 46 1 7 {} {0.549332885813 0.369674014875 0.364203398432} N4 47 1 14 {} {0.536414603394 0.333292786279 0.319959816395} Si9 48 1 14 {} {0.5295851469 0.375527763767 0.54170530935} Si10 49 1 7 {} {0.568986024655 0.390941027744 0.542431883339} N5 50 1 7 {} {0.556822794479 0.25199397991 0.232362897358} N6 51 1 1 {} {0.640439274932 0.654507543258 0.469531639502} H22 52 1 1 {} {0.77481474477 0.726115994901 0.444138663484} H23 53 1 1 {} {0.539434219582 0.597006458626 0.272533052403} H24 54 1 1 {} {0.760341457318 0.78398986499 1.10513549782} H25 55 1 1 {} {1.06839622194 0.30734693441 1.06685545714} H26 56 1 1 {} {0.619817173495 0.51392288412 0.639673739811} H27 57 1 1 {} {0.553200249964 0.8346352256 0.380604262531} H28 58 1 1 {} {0.559923240399 0.79252773089 0.485569076417} H29 59 1 1 {} {0.518090176401 0.770293646286 0.408278971752} H30 60 1 1 {} {0.608821927933 0.756311882272 0.203141220832} H31 61 1 1 {} {0.649755582921 0.836771950278 0.447765307172} H32 62 1 1 {} {0.605080463337 0.424384337632 0.265034775718} H33 63 1 1 {} {0.648247032884 0.406485883664 0.435035621734} H34 64 1 1 {} {0.493480885229 0.302745595702 0.3420606022} H35 65 1 1 {} {0.524761685329 0.375670116052 0.236822148864} H36 66 1 1 {} {0.484534041794 0.421134434029 0.583036200509} H37 67 1 1 {} {0.508654743258 0.288192520325 0.518861956493} H38 68 1 1 {} {0.557713299026 0.431671677204 0.60935668617} H39 69 1 1 {} {0.592835009405 0.36663314595 0.613606310123} H40 70 1 1 {} {0.581857656328 0.275575122347 0.197634511809} H41 71 1 1 {} {0.563683167011 0.209681709745 0.266488213564} 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