#MD System 2.0 @Title neb0_image04 @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 {} {0.210273034176 0.527774953078 0.318234213366} C1 1 1 14 {} {0.264181719033 0.490771795378 0.27646251253} Si1 2 1 14 {} {0.163596494299 0.536269628463 0.237214340925} Si2 3 1 8 {} {0.27676945839 0.523784419087 0.178610740635} O1 4 1 8 {} {0.304202597212 0.511062104924 0.347349420655} O2 5 1 6 {} {0.262245573029 0.397625180731 0.269400945181} C2 6 1 6 {} {0.132046942838 0.456552262657 0.219535655878} C3 7 1 8 {} {0.188097547394 0.562078702579 0.142959269545} O3 8 1 8 {} {0.128261778643 0.597314269799 0.264230864157} O4 9 1 14 {} {0.355667012225 0.540052070105 0.35253299748} Si3 10 1 7 {} {0.390401401516 0.477096099179 0.394149736277} N1 11 1 14 {} {0.444591342123 0.475349384499 0.35294870343} Si4 12 1 14 {} {0.370035444259 0.422861052671 0.476964861898} Si5 13 1 7 {} {0.340899529879 0.460658206237 0.562295012502} N2 14 1 7 {} {0.466301965213 0.555136423305 0.358651942411} N3 15 1 1 {} {0.198682218216 0.499143722672 0.376682417246} H1 16 1 1 {} {0.218140028929 0.578589859115 0.34239483717} H2 17 1 1 {} {0.251280384732 0.543994596085 0.147850028813} H3 18 1 1 {} {0.257094033794 0.374594142554 0.335199962946} H4 19 1 1 {} {0.293958724805 0.378534641299 0.242672768363} H5 20 1 1 {} {0.235482403062 0.380491237045 0.224738795796} H6 21 1 1 {} {0.105535240915 0.462742539539 0.169453057724} H7 22 1 1 {} {0.116505714198 0.438788104565 0.281720240062} H8 23 1 1 {} {0.154452445546 0.416733908277 0.195898663883} H9 24 1 1 {} {0.16958819344 0.585183910854 0.0997738230095} H10 25 1 1 {} {0.0998604902199 0.585011244192 0.290269648055} H11 26 1 1 {} {0.37205577258 0.559942728945 0.262709279332} H12 27 1 1 {} {0.354547437906 0.598782153284 0.41350922881} H13 28 1 1 {} {0.468881212187 0.423218610627 0.40579695421} H14 29 1 1 {} {0.44696706425 0.458116447215 0.256495876156} H15 30 1 1 {} {0.338567735973 0.373718844803 0.436634795734} H16 31 1 1 {} {0.409516536105 0.388603798003 0.516173846453} H17 32 1 1 {} {0.309296934173 0.477151575257 0.551388861719} H18 33 1 1 {} {0.356889421759 0.491055223838 0.60629626379} H19 34 1 1 {} {0.489632924078 0.570113940327 0.313639176052} H20 35 1 1 {} {0.472222148882 0.577399516475 0.418422905068} H21 36 1 6 {} {0.649936443245 0.638054451636 0.494402085255} C4 37 1 14 {} {0.610547195536 0.574265888232 0.446682672966} Si6 38 1 14 {} {0.647588055629 0.724723070968 0.449600304282} Si7 39 1 8 {} {0.60800574529 0.582533261385 0.336848228407} O5 40 1 8 {} {0.630175312546 0.499525634032 0.470830323085} O6 41 1 6 {} {0.55365819359 0.580465364298 0.496268484283} C5 42 1 6 {} {0.599977840795 0.77520375929 0.494279079603} C6 43 1 8 {} {0.64331086472 0.713934306111 0.339082245505} O7 44 1 8 {} {0.695119589616 0.76610461189 0.465244362283} O8 45 1 14 {} {0.640730605313 0.421593587291 0.442981079428} Si8 46 1 7 {} {0.595393082824 0.369456002053 0.461047010926} N4 47 1 14 {} {0.57583018848 0.320184800488 0.372515803271} Si9 48 1 14 {} {0.570719663834 0.366133101644 0.567542517924} Si10 49 1 7 {} {0.605939085704 0.384857496741 0.654508928989} N5 50 1 7 {} {0.610874907199 0.257513130167 0.335180272408} N6 51 1 1 {} {0.645795443832 0.639598287758 0.567487450417} H22 52 1 1 {} {0.683989017465 0.619330381796 0.481977470884} H23 53 1 1 {} {0.620445181623 0.624864255995 0.31503689165} H24 54 1 1 {} {0.553577453512 0.570512969021 0.568192645455} H25 55 1 1 {} {0.531962764149 0.543288700426 0.464372921257} H26 56 1 1 {} {0.539007856968 0.630283926456 0.484868054649} H27 57 1 1 {} {0.59921364327 0.825617950823 0.464874709158} H28 58 1 1 {} {0.602023877006 0.780694144451 0.567243872988} H29 59 1 1 {} {0.567897319794 0.751030057385 0.479102758318} H30 60 1 1 {} {0.651285468556 0.751353146134 0.301114125918} H31 61 1 1 {} {0.695523658281 0.801107041737 0.509835724011} H32 62 1 1 {} {0.65228001495 0.41657572751 0.346161317738} H33 63 1 1 {} {0.679946617251 0.401239857519 0.497743377978} H34 64 1 1 {} {0.534085534414 0.288222088714 0.405329197198} H35 65 1 1 {} {0.567666870565 0.363065336042 0.292890637477} H36 66 1 1 {} {0.533521913649 0.415485435335 0.573763760578} H37 67 1 1 {} {0.553539438042 0.296634715602 0.579201743593} H38 68 1 1 {} {0.612521643097 0.433473682536 0.669383225975} H39 69 1 1 {} {0.632973554055 0.355778496633 0.667601031287} H40 70 1 1 {} {0.635484371618 0.268580855581 0.290919105704} H41 71 1 1 {} {0.620400523346 0.21972011633 0.376432055241} 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