#MD System 2.0 @Title neb0_image08 @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 {} {0.226587625795 0.524512539747 0.346607794643} C1 1 1 14 {} {0.279237522447 0.486844520957 0.305080043354} Si1 2 1 14 {} {0.181095364839 0.533561574949 0.266846486102} Si2 3 1 8 {} {0.293982530674 0.516118592671 0.205838700468} O1 4 1 8 {} {0.311174097647 0.515447661313 0.386698019302} O2 5 1 6 {} {0.280612772729 0.393396614155 0.300387606105} C2 6 1 6 {} {0.150618558266 0.453370440486 0.248683589319} C3 7 1 8 {} {0.206272361726 0.561521126271 0.17423295692} O3 8 1 8 {} {0.145753657633 0.593781979273 0.296891505453} O4 9 1 14 {} {0.36377680551 0.530728234833 0.378597057286} Si3 10 1 7 {} {0.394567737614 0.459192717858 0.402466426798} N1 11 1 14 {} {0.439432874247 0.463755984411 0.329822285918} Si4 12 1 14 {} {0.384714399135 0.415457371003 0.501679237518} Si5 13 1 7 {} {0.359179005366 0.455731985183 0.590018545912} N2 14 1 7 {} {0.432864383725 0.549225585034 0.283300443632} N3 15 1 1 {} {0.216990131609 0.496028853508 0.406409196445} H1 16 1 1 {} {0.237422671432 0.574183980505 0.370525708231} H2 17 1 1 {} {0.269879004609 0.540542621127 0.175940143802} H3 18 1 1 {} {0.275223085825 0.37025077945 0.366094960496} H4 19 1 1 {} {0.312435565775 0.374554262626 0.273636628621} H5 20 1 1 {} {0.254002431368 0.37639306291 0.254959103211} H6 21 1 1 {} {0.12410558081 0.459838879025 0.198996034424} H7 22 1 1 {} {0.135135072826 0.436859843744 0.3114549413} H8 23 1 1 {} {0.172557594616 0.412739989453 0.225924525641} H9 24 1 1 {} {0.187452229793 0.582590500399 0.130151619143} H10 25 1 1 {} {0.117922341435 0.578752486121 0.322318112953} H11 26 1 1 {} {0.372943480588 0.553121477459 0.28394446292} H12 27 1 1 {} {0.375026234134 0.590139201848 0.440902693218} H13 28 1 1 {} {0.483791148613 0.465342300477 0.388123584907} H14 29 1 1 {} {0.444715890365 0.399358740637 0.258784306339} H15 30 1 1 {} {0.352966610938 0.359806344619 0.481876706435} H16 31 1 1 {} {0.425368366686 0.386712572172 0.54378758246} H17 32 1 1 {} {0.327541919061 0.474213023354 0.584761105957} H18 33 1 1 {} {0.374038243199 0.486430318035 0.635282932634} H19 34 1 1 {} {0.457549535183 0.578963656405 0.312346141954} H20 35 1 1 {} {0.396138264493 0.599214697164 0.295562656577} H21 36 1 6 {} {0.659310848755 0.644577003434 0.466066225233} C4 37 1 14 {} {0.613205756931 0.579050567932 0.440170427535} Si6 38 1 14 {} {0.639312623932 0.730561835797 0.418912194402} Si7 39 1 8 {} {0.580475751469 0.594893162896 0.352348064301} O5 40 1 8 {} {0.634093060113 0.503663180589 0.442952448908} O6 41 1 6 {} {0.573376513491 0.576366682199 0.539376476875} C5 42 1 6 {} {0.584808582812 0.774780246 0.462737728225} C6 43 1 8 {} {0.629323641473 0.720310250309 0.309239069098} O7 44 1 8 {} {0.680060493853 0.791765140058 0.424984714896} O8 45 1 14 {} {0.627269979824 0.423952509533 0.413750831307} Si8 46 1 7 {} {0.578401333149 0.376798262449 0.433045855823} N4 47 1 14 {} {0.557411872187 0.324558918044 0.343557106736} Si9 48 1 14 {} {0.554439109321 0.367477860066 0.539638514479} Si10 49 1 7 {} {0.590645517163 0.385418589759 0.625479975743} N5 50 1 7 {} {0.591457434484 0.26127905937 0.304603038818} N6 51 1 1 {} {0.653067601586 0.652846450797 0.537686785504} H22 52 1 1 {} {0.698727454986 0.653935769936 0.472451360759} H23 53 1 1 {} {0.59095037869 0.621917035789 0.302085011418} H24 54 1 1 {} {0.588911531631 0.615286685208 0.598026479238} H25 55 1 1 {} {0.564357352618 0.525642009752 0.5728849939} H26 56 1 1 {} {0.539511184767 0.589982363591 0.509856870763} H27 57 1 1 {} {0.582072788642 0.82596814837 0.433359902087} H28 58 1 1 {} {0.584601014339 0.78330398155 0.535686990634} H29 59 1 1 {} {0.551945054905 0.75192671924 0.44693718331} H30 60 1 1 {} {0.631824420952 0.755869205302 0.264390911452} H31 61 1 1 {} {0.679623792906 0.815743998626 0.483381325988} H32 62 1 1 {} {0.63390674389 0.41508000997 0.315875635834} H33 63 1 1 {} {0.664501584794 0.394696342832 0.467267156259} H34 64 1 1 {} {0.515668666367 0.290852552297 0.376278902983} H35 65 1 1 {} {0.548756359673 0.366547354572 0.264598251578} H36 66 1 1 {} {0.517916466876 0.418087001937 0.557416753964} H37 67 1 1 {} {0.535700341282 0.298558616746 0.549581287007} H38 68 1 1 {} {0.59432135541 0.434723276191 0.642746570317} H39 69 1 1 {} {0.618687880868 0.35921762591 0.641598839712} H40 70 1 1 {} {0.615645431824 0.271839400451 0.259063698419} H41 71 1 1 {} {0.600312878263 0.221140596549 0.342836523342} 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