#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 {} {0.213014445404 0.527275253467 0.322569738264} C1 1 1 14 {} {0.26692708672 0.490239825145 0.280803039696} Si1 2 1 14 {} {0.166316166353 0.535703511948 0.241596434263} Si2 3 1 8 {} {0.279494540458 0.523162144812 0.182863069186} O1 4 1 8 {} {0.306787947282 0.510620120373 0.3517640153} O2 5 1 6 {} {0.264930749265 0.397052035646 0.273822685768} C2 6 1 6 {} {0.13475744631 0.455990575313 0.223871149745} C3 7 1 8 {} {0.190750571612 0.561659707707 0.147320005561} O3 8 1 8 {} {0.130944882857 0.596751967679 0.268698465733} O4 9 1 14 {} {0.358307079102 0.539530534902 0.356872751099} Si3 10 1 7 {} {0.392861975201 0.476363967418 0.398532918474} N1 11 1 14 {} {0.446976478856 0.474704892874 0.356405707384} Si4 12 1 14 {} {0.372644287762 0.422262137908 0.481470288589} Si5 13 1 7 {} {0.343547613424 0.460143962261 0.566842258893} N2 14 1 7 {} {0.467441108798 0.555469886975 0.360301412721} N3 15 1 1 {} {0.201380878251 0.498668279463 0.381031501788} H1 16 1 1 {} {0.220861735661 0.578121847845 0.34669203191} H2 17 1 1 {} {0.254030405191 0.543473401886 0.152178512839} H3 18 1 1 {} {0.259769622711 0.374020572131 0.339638789824} H4 19 1 1 {} {0.296653371485 0.378012305294 0.247063983034} H5 20 1 1 {} {0.238156055212 0.380020824487 0.229089988249} H6 21 1 1 {} {0.108247477372 0.462269672704 0.173832095385} H7 22 1 1 {} {0.119207956046 0.43831736317 0.2860766055} H8 23 1 1 {} {0.157137086376 0.416153886981 0.200258263146} H9 24 1 1 {} {0.172215921338 0.58473409856 0.104125511509} H10 25 1 1 {} {0.102551559003 0.584383172613 0.294736494699} H11 26 1 1 {} {0.374727368421 0.559463779395 0.267042473627} H12 27 1 1 {} {0.35724477627 0.598356932257 0.4180152638} H13 28 1 1 {} {0.471575873231 0.423141670816 0.409828706187} H14 29 1 1 {} {0.449499641984 0.456700640201 0.259792000292} H15 30 1 1 {} {0.341250816827 0.373150541126 0.441039754748} H16 31 1 1 {} {0.412233661426 0.38810957941 0.520494334567} H17 32 1 1 {} {0.311957858851 0.476664117106 0.555715493846} H18 33 1 1 {} {0.359578588805 0.490641861445 0.610725367605} H19 34 1 1 {} {0.49202786271 0.569013401332 0.317015279581} H20 35 1 1 {} {0.472736824272 0.577183329867 0.420794688605} H21 36 1 6 {} {0.647699050276 0.63884569044 0.489985989188} C4 37 1 14 {} {0.608371365944 0.575091658286 0.442915769268} Si6 38 1 14 {} {0.644915490519 0.725386631837 0.445109482317} Si7 39 1 8 {} {0.604981871072 0.58321403706 0.333222048868} O5 40 1 8 {} {0.627605079943 0.499981243803 0.466439131694} O6 41 1 6 {} {0.551901679913 0.581228945481 0.493889002695} C5 42 1 6 {} {0.597299326197 0.775695310086 0.489927058325} C6 43 1 8 {} {0.640534839086 0.714445140416 0.334671035716} O7 44 1 8 {} {0.69252373574 0.766692558562 0.460762752681} O8 45 1 14 {} {0.638071472582 0.422062334475 0.438494965891} Si8 46 1 7 {} {0.592753332791 0.369971185827 0.456796043637} N4 47 1 14 {} {0.573159844395 0.320619606926 0.368066136254} Si9 48 1 14 {} {0.567927069946 0.366515548287 0.562929791051} Si10 49 1 7 {} {0.603439817561 0.385433916202 0.64991394639} N5 50 1 7 {} {0.608040795383 0.257947883889 0.33062301741} N6 51 1 1 {} {0.643172693873 0.640094122108 0.562996806833} H22 52 1 1 {} {0.681716236776 0.620086208975 0.477588803617} H23 53 1 1 {} {0.617619500385 0.625208353324 0.310786564918} H24 54 1 1 {} {0.55166291613 0.571693154527 0.56602441002} H25 55 1 1 {} {0.531126991934 0.542866466856 0.461905942909} H26 56 1 1 {} {0.53669288825 0.630616233511 0.481251587139} H27 57 1 1 {} {0.596527237538 0.826109049524 0.460505886866} H28 58 1 1 {} {0.599341246656 0.781235227228 0.562868607436} H29 59 1 1 {} {0.565217846159 0.751564968885 0.474750540974} H30 60 1 1 {} {0.648590714463 0.75180169994 0.296685013467} H31 61 1 1 {} {0.692843930889 0.801648248233 0.505436504337} H32 62 1 1 {} {0.64956934686 0.417114855961 0.341832094507} H33 63 1 1 {} {0.677265514196 0.401822657612 0.4934183874} H34 64 1 1 {} {0.531410341935 0.288781215954 0.401088360484} H35 65 1 1 {} {0.564996777885 0.36356561806 0.288711587207} H36 66 1 1 {} {0.530776301394 0.415985709921 0.569716082037} H37 67 1 1 {} {0.550858999648 0.297117188435 0.574907512956} H38 68 1 1 {} {0.609731932529 0.433851708821 0.665038500997} H39 69 1 1 {} {0.630182800245 0.356314873799 0.663230387722} H40 70 1 1 {} {0.632750977302 0.269079535339 0.286468455236} H41 71 1 1 {} {0.617650163808 0.220082365117 0.371928856144} 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