#MD System 2.0 @Title neb0_image03 @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 {} {0.207665200214 0.52824127195 0.314036130372} C1 1 1 14 {} {0.261588115383 0.491257446494 0.272277705782} Si1 2 1 14 {} {0.160995836721 0.53671744256 0.232979689682} Si2 3 1 8 {} {0.274169887986 0.524305151211 0.174428685038} O1 4 1 8 {} {0.30163016575 0.511508634475 0.343115116929} O2 5 1 6 {} {0.259629323073 0.398101415302 0.265189846151} C2 6 1 6 {} {0.129435850936 0.457019540018 0.215282484587} C3 7 1 8 {} {0.185515556857 0.56254299925 0.138753356751} O3 8 1 8 {} {0.125667106827 0.597859941972 0.260006908398} O4 9 1 14 {} {0.353109259063 0.54051815371 0.348367329023} Si3 10 1 7 {} {0.387839162802 0.477555909227 0.389911600533} N1 11 1 14 {} {0.442160336779 0.475922824974 0.348841280834} Si4 12 1 14 {} {0.367441007352 0.42333888077 0.472676672565} Si5 13 1 7 {} {0.338303993711 0.461117939938 0.558103054024} N2 14 1 7 {} {0.464040571887 0.555594190108 0.35495163785} N3 15 1 1 {} {0.196080983128 0.499622860864 0.37247887114} H1 16 1 1 {} {0.215536567749 0.579063694052 0.338177275262} H2 17 1 1 {} {0.248686234596 0.544476627482 0.143636190443} H3 18 1 1 {} {0.254489838252 0.375077368972 0.330998044339} H4 19 1 1 {} {0.291353371583 0.379024940389 0.238454602155} H5 20 1 1 {} {0.232875295473 0.380968230305 0.22052346637} H6 21 1 1 {} {0.102928128972 0.463224186121 0.165228090888} H7 22 1 1 {} {0.113900044366 0.439271403239 0.277483714623} H8 23 1 1 {} {0.151853488678 0.417210091893 0.191674320817} H9 24 1 1 {} {0.166995636583 0.585641960883 0.0955950113612} H10 25 1 1 {} {0.0972677847479 0.58551175585 0.286033320431} H11 26 1 1 {} {0.369453096714 0.560422886923 0.258498497634} H12 27 1 1 {} {0.351939740441 0.599263976443 0.409297754105} H13 28 1 1 {} {0.466263955979 0.423622546471 0.401600292001} H14 29 1 1 {} {0.444357341249 0.45863348815 0.25228737659} H15 30 1 1 {} {0.33596466751 0.374187123545 0.432428408614} H16 31 1 1 {} {0.406906134745 0.389078589403 0.511977894998} H17 32 1 1 {} {0.306686790746 0.477639832354 0.547175583141} H18 33 1 1 {} {0.354293628738 0.49155632617 0.602099259285} H19 34 1 1 {} {0.487074357435 0.570635075145 0.309361209041} H20 35 1 1 {} {0.469914877889 0.577881955307 0.414762370466} H21 36 1 6 {} {0.652515341948 0.637560733107 0.498643890724} C4 37 1 14 {} {0.613067577948 0.573784028803 0.450758354272} Si6 38 1 14 {} {0.650199827104 0.72425847098 0.453820875668} Si7 39 1 8 {} {0.610657736615 0.58204053385 0.341031613726} O5 40 1 8 {} {0.632781751388 0.499047100352 0.475046373588} O6 41 1 6 {} {0.55604075587 0.579886773498 0.50010560072} C5 42 1 6 {} {0.602594454413 0.774699909193 0.498526334352} C6 43 1 8 {} {0.645934012689 0.713448487025 0.34327620108} O7 44 1 8 {} {0.697748572542 0.765603923638 0.469473876119} O8 45 1 14 {} {0.643291071143 0.421124698162 0.447109336163} Si8 46 1 7 {} {0.598024429314 0.369009251191 0.465521031395} N4 47 1 14 {} {0.578449499333 0.319595529323 0.376679629163} Si9 48 1 14 {} {0.573247029848 0.36559222752 0.571367916888} Si10 49 1 7 {} {0.608604102016 0.384417238784 0.658796377831} N5 50 1 7 {} {0.613429964893 0.25707105152 0.339404413875} N6 51 1 1 {} {0.648391101295 0.639128431141 0.571730179745} H22 52 1 1 {} {0.686576220112 0.618848471841 0.486190452547} H23 53 1 1 {} {0.623051271241 0.624397663341 0.319241223394} H24 54 1 1 {} {0.556104637052 0.569991497176 0.572128710291} H25 55 1 1 {} {0.534118066675 0.542892784645 0.468208471877} H26 56 1 1 {} {0.541531453991 0.629832279787 0.489003705172} H27 57 1 1 {} {0.601809807166 0.825114256223 0.469103412163} H28 58 1 1 {} {0.604620426499 0.780219070227 0.571480537619} H29 59 1 1 {} {0.570502661891 0.750544026557 0.483323782995} H30 60 1 1 {} {0.653888365629 0.750892088286 0.305311454128} H31 61 1 1 {} {0.698115580873 0.800632231458 0.514051278457} H32 62 1 1 {} {0.654875762467 0.416085780731 0.350379997521} H33 63 1 1 {} {0.68253934719 0.400760292916 0.501964129084} H34 64 1 1 {} {0.536671886281 0.287758933483 0.409577889152} H35 65 1 1 {} {0.570265413424 0.362599715017 0.297128994111} H36 66 1 1 {} {0.536135980336 0.415002842345 0.578011970991} H37 67 1 1 {} {0.556148220744 0.296170442452 0.583479713478} H38 68 1 1 {} {0.615110995229 0.432999564769 0.673619006153} H39 69 1 1 {} {0.635566309058 0.355302711112 0.671830900897} H40 70 1 1 {} {0.638062062907 0.268103115427 0.295165067888} H41 71 1 1 {} {0.622992823444 0.21927010906 0.380622357} 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