#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 {} {0.21040649818 0.527754543729 0.318286340364} C1 1 1 14 {} {0.264265075284 0.490642380113 0.276461933676} Si1 2 1 14 {} {0.163707480895 0.536215272772 0.237382150887} Si2 3 1 8 {} {0.276787513155 0.523416152012 0.178385160088} O1 4 1 8 {} {0.304180876382 0.511154859166 0.347424221655} O2 5 1 6 {} {0.262309696491 0.397462428284 0.269654196218} C2 6 1 6 {} {0.132137599981 0.45652761958 0.219670164991} C3 7 1 8 {} {0.188127180629 0.562127000917 0.143038417377} O3 8 1 8 {} {0.128335982654 0.597233356196 0.264595710811} O4 9 1 14 {} {0.355678008098 0.540073639894 0.352684705442} Si3 10 1 7 {} {0.390333375479 0.476978324334 0.394257395929} N1 11 1 14 {} {0.44451628976 0.47530543069 0.352404750734} Si4 12 1 14 {} {0.370065242084 0.422763237417 0.477198754332} Si5 13 1 7 {} {0.340929332967 0.46059333778 0.562568698776} N2 14 1 7 {} {0.465536897959 0.555638413582 0.35721146699} N3 15 1 1 {} {0.198761099454 0.499170379883 0.376771858403} H1 16 1 1 {} {0.218269595984 0.578600140134 0.342407292031} H2 17 1 1 {} {0.251352983981 0.543952226803 0.147883067253} H3 18 1 1 {} {0.257119974723 0.374431781692 0.335455194626} H4 19 1 1 {} {0.294024559104 0.378446618814 0.242869885802} H5 20 1 1 {} {0.23553317481 0.380499423376 0.224866196994} H6 21 1 1 {} {0.105626887942 0.462796268457 0.169616010583} H7 22 1 1 {} {0.116568901638 0.438858667758 0.281875301632} H8 23 1 1 {} {0.154490473962 0.416643974783 0.196067457299} H9 24 1 1 {} {0.169625712475 0.585225210119 0.0999328759294} H10 25 1 1 {} {0.0999639574033 0.584806004375 0.290499027437} H11 26 1 1 {} {0.372144073847 0.56001595147 0.262856870607} H12 27 1 1 {} {0.354607539622 0.598876368652 0.413829062471} H13 28 1 1 {} {0.468938027743 0.423440132501 0.405638591399} H14 29 1 1 {} {0.446820967776 0.457316178338 0.255887124866} H15 30 1 1 {} {0.338641047456 0.373619704027 0.43675553042} H16 31 1 1 {} {0.409621141396 0.388578574823 0.51622662267} H17 32 1 1 {} {0.309299597426 0.477080587737 0.551433139834} H18 33 1 1 {} {0.356908788001 0.491085028187 0.606454714} H19 34 1 1 {} {0.489592425766 0.569545048087 0.312908502124} H20 35 1 1 {} {0.470933919674 0.57759917371 0.417497539891} H21 36 1 6 {} {0.650206980946 0.638307670064 0.494271015409} C4 37 1 14 {} {0.61079257144 0.574475263738 0.447001652172} Si6 38 1 14 {} {0.647542653465 0.724871697892 0.449297793104} Si7 39 1 8 {} {0.60759340594 0.582712166508 0.337362908126} O5 40 1 8 {} {0.63037493495 0.499564970809 0.470751581641} O6 41 1 6 {} {0.554098573855 0.580585432072 0.497322755119} C5 42 1 6 {} {0.599885959522 0.77524002938 0.494062163256} C6 43 1 8 {} {0.643404907585 0.713872175435 0.338856330613} O7 44 1 8 {} {0.695070088148 0.766314666542 0.464980730208} O8 45 1 14 {} {0.640717980006 0.421622538647 0.44292398795} Si8 46 1 7 {} {0.595314484328 0.369542382262 0.460932196444} N4 47 1 14 {} {0.575754251796 0.320306485506 0.372337088784} Si9 48 1 14 {} {0.570647301926 0.366076720491 0.567432597566} Si10 49 1 7 {} {0.605882422483 0.38491037714 0.654384664574} N5 50 1 7 {} {0.610727574816 0.257555123751 0.334984050812} N6 51 1 1 {} {0.645819572702 0.639636704493 0.567277132774} H22 52 1 1 {} {0.684279996075 0.619655063279 0.481840066008} H23 53 1 1 {} {0.6202374234 0.624727369037 0.31496427541} H24 54 1 1 {} {0.554042691801 0.571071906675 0.569574504789} H25 55 1 1 {} {0.532875148528 0.542622664287 0.465512213652} H26 56 1 1 {} {0.539197360908 0.630043584588 0.485319580286} H27 57 1 1 {} {0.599137593494 0.82569171759 0.464691124359} H28 58 1 1 {} {0.601960773176 0.780785854151 0.567006621331} H29 59 1 1 {} {0.567785296221 0.751143196202 0.478967484457} H30 60 1 1 {} {0.65123218809 0.75137013629 0.300875562095} H31 61 1 1 {} {0.69543635571 0.801271115823 0.509810185567} H32 62 1 1 {} {0.652206938788 0.416638852058 0.346155738637} H33 63 1 1 {} {0.679904803486 0.40125216801 0.497729942071} H34 64 1 1 {} {0.534000142753 0.288312276459 0.405170690583} H35 65 1 1 {} {0.567575016986 0.363123576605 0.292744370431} H36 66 1 1 {} {0.533394525588 0.41536882489 0.573850135348} H37 67 1 1 {} {0.553527674357 0.296578577276 0.579068818358} H38 68 1 1 {} {0.612414539018 0.433460647236 0.669174982254} H39 69 1 1 {} {0.632889272674 0.355858102562 0.667527642457} H40 70 1 1 {} {0.635355648973 0.268584458618 0.290626383692} H41 71 1 1 {} {0.620228878263 0.219674992734 0.376063237913} 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