#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 {} {0.367342977444 0.570968570286 0.412376149639} C1 1 1 14 {} {0.344407522816 0.544413625397 0.522761781851} Si1 2 1 14 {} {0.428961962818 0.580823952016 0.407906684346} Si2 3 1 8 {} {0.357527462775 0.601198185155 0.598680604282} O1 4 1 8 {} {0.289436002713 0.542609111287 0.515651189191} O2 5 1 6 {} {0.363314098104 0.459228438289 0.557437058617} C2 6 1 6 {} {0.458484771275 0.498973621329 0.393134082705} C3 7 1 8 {} {0.4420733639 0.616453041788 0.506429004616} O3 8 1 8 {} {0.441206315689 0.63351116288 0.325420025374} O4 9 1 14 {} {0.239080584908 0.547272348329 0.556899364559} Si3 10 1 7 {} {0.219406081842 0.469112907797 0.591125844798} N1 11 1 14 {} {0.1969890343 0.460852562527 0.698637907872} Si4 12 1 14 {} {0.219940523872 0.401429406379 0.516014506272} Si5 13 1 7 {} {0.213843784892 0.422478808327 0.405516065451} N2 14 1 7 {} {0.146521526964 0.499827946641 0.718897113113} N3 15 1 1 {} {0.357794452617 0.535251916355 0.359779481847} H1 16 1 1 {} {0.352183018948 0.619488748719 0.395051759475} H2 17 1 1 {} {0.38744134047 0.619490702157 0.589004293351} H3 18 1 1 {} {0.354668305462 0.420609143671 0.50810375102} H4 19 1 1 {} {0.347605035205 0.445371011756 0.621111146775} H5 20 1 1 {} {0.399641599737 0.45795963912 0.567400442483} H6 21 1 1 {} {0.494329950158 0.508180990062 0.39035956225} H7 22 1 1 {} {0.449193425374 0.474973762942 0.329896439889} H8 23 1 1 {} {0.452187084745 0.463773629561 0.447852638845} H9 24 1 1 {} {0.473035477398 0.629853391522 0.513166672845} H10 25 1 1 {} {0.472713776284 0.632630121976 0.309882548971} H11 26 1 1 {} {0.237357632515 0.591447141524 0.637161891884} H12 27 1 1 {} {0.210171658963 0.575340629756 0.485316908503} H13 28 1 1 {} {0.190292874362 0.387765198496 0.712910099838} H14 29 1 1 {} {0.228525387042 0.490043929829 0.764678476828} H15 30 1 1 {} {0.263198354553 0.364846182487 0.521882323733} H16 31 1 1 {} {0.18232609932 0.356848769624 0.542686368376} H17 32 1 1 {} {0.240868238856 0.437309205771 0.369663371861} H18 33 1 1 {} {0.18589259995 0.446081023234 0.383492301247} H19 34 1 1 {} {0.145757045269 0.549469385511 0.73372476623} H20 35 1 1 {} {0.118508286673 0.486085244474 0.6852611008} H21 36 1 6 {} {0.624291084132 0.621845900851 0.350722093405} C4 37 1 14 {} {0.581260340212 0.559855173822 0.388421719482} Si6 38 1 14 {} {0.617865937847 0.71017895689 0.387490902661} Si7 39 1 8 {} {0.532723631934 0.600367279352 0.383292189978} O5 40 1 8 {} {0.580709901486 0.495368042466 0.321157028695} O6 41 1 6 {} {0.591291558407 0.527150012153 0.503308542285} C5 42 1 6 {} {0.63558798647 0.727161217856 0.504755264144} C6 43 1 8 {} {0.562933439606 0.725468112793 0.376039345479} O7 44 1 8 {} {0.645221474484 0.759681488 0.317504972153} O8 45 1 14 {} {0.574323746337 0.434446210517 0.24848309819} Si8 46 1 7 {} {0.586800556032 0.356358616198 0.291466443296} N4 47 1 14 {} {0.543169380818 0.29994560863 0.314848565543} Si9 48 1 14 {} {0.641381404133 0.330893885344 0.316665467287} Si10 49 1 7 {} {0.682349212888 0.377148651379 0.265460391838} N5 50 1 7 {} {0.519369942498 0.256816829405 0.227725322047} N6 51 1 1 {} {0.657793469061 0.60380123339 0.369107915936} H22 52 1 1 {} {0.622619833688 0.622400981453 0.277073200192} H23 53 1 1 {} {0.536798346811 0.649323571691 0.379110122763} H24 54 1 1 {} {0.623295643023 0.500271128756 0.506845336254} H25 55 1 1 {} {0.564860415022 0.491911249698 0.523027182957} H26 56 1 1 {} {0.591969134669 0.567716021854 0.552892655617} H27 57 1 1 {} {0.630309968655 0.779929835528 0.52284291395} H28 58 1 1 {} {0.671167554685 0.71572307206 0.51403659971} H29 59 1 1 {} {0.616594484606 0.696575208809 0.55245658163} H30 60 1 1 {} {0.55204262368 0.771067645413 0.372909939608} H31 61 1 1 {} {0.663123094954 0.795318830553 0.342560080963} H32 62 1 1 {} {0.526702972491 0.432353652867 0.219580665579} H33 63 1 1 {} {0.603577242884 0.450401995651 0.170887380081} H34 64 1 1 {} {0.563153188409 0.249190572724 0.376004504011} H35 65 1 1 {} {0.50637132633 0.337946492231 0.358103049414} H36 66 1 1 {} {0.650695775954 0.336960845886 0.41417845418} H37 67 1 1 {} {0.645260174523 0.259464658099 0.288488313072} H38 68 1 1 {} {0.695819528278 0.417792707699 0.295754989827} H39 69 1 1 {} {0.685435401454 0.379975117849 0.198057103175} H40 70 1 1 {} {0.497060349333 0.279891927382 0.187003782655} H41 71 1 1 {} {0.536764542011 0.221260052297 0.194015760083} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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