#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 {} {0.358441254373 0.535733986001 0.422981120433} C1 1 1 14 {} {0.339532441751 0.502461423985 0.534095449981} Si1 2 1 14 {} {0.413196227056 0.579267172269 0.418216406168} Si2 3 1 8 {} {0.342849245365 0.562669270196 0.60935711345} O1 4 1 8 {} {0.286635150697 0.480307207924 0.526101171839} O2 5 1 6 {} {0.371196922362 0.426484127505 0.569425656878} C2 6 1 6 {} {0.462126226747 0.522383872455 0.411918216721} C3 7 1 8 {} {0.415150534925 0.622606789922 0.514171575495} O3 8 1 8 {} {0.41354524296 0.630028657251 0.330233361816} O4 9 1 14 {} {0.234334953286 0.486032183673 0.5566485324} Si3 10 1 7 {} {0.214656394788 0.407362217042 0.588132438045} N1 11 1 14 {} {0.178658843404 0.403062884579 0.680059621229} Si4 12 1 14 {} {0.230241932017 0.337345183093 0.524151798988} Si5 13 1 7 {} {0.231471355484 0.349588698941 0.410499583223} N2 14 1 7 {} {0.131117525458 0.451328491053 0.672908755309} N3 15 1 1 {} {0.35823181835 0.49522312308 0.372985355403} H1 16 1 1 {} {0.333297491258 0.572544699892 0.400910964778} H2 17 1 1 {} {0.366594610689 0.594874820772 0.59622457911} H3 18 1 1 {} {0.367860293702 0.385470603277 0.52095929541} H4 19 1 1 {} {0.358534279531 0.408427741742 0.633940750894} H5 20 1 1 {} {0.406909418887 0.437468959154 0.577699310871} H6 21 1 1 {} {0.494406131231 0.548796649795 0.411802374002} H7 22 1 1 {} {0.460534381254 0.490966797019 0.351579591471} H8 23 1 1 {} {0.462061463906 0.489030623821 0.470160374642} H9 24 1 1 {} {0.440658508465 0.651495450729 0.524189662961} H10 25 1 1 {} {0.442340127199 0.637549700248 0.30247269284} H11 26 1 1 {} {0.228567059344 0.531748560578 0.634625531627} H12 27 1 1 {} {0.20883412248 0.512660532577 0.478928131683} H13 28 1 1 {} {0.165801254358 0.331345315804 0.6882244249} H14 29 1 1 {} {0.201718851563 0.427463333147 0.761898290357} H15 30 1 1 {} {0.276179337426 0.31568908034 0.549045313767} H16 31 1 1 {} {0.197111218974 0.283957975257 0.544512561923} H17 32 1 1 {} {0.25788571091 0.373720631982 0.382663837371} H18 33 1 1 {} {0.202993067267 0.36043187464 0.376603132596} H19 34 1 1 {} {0.130953242875 0.498957118827 0.696548189067} H20 35 1 1 {} {0.108477919784 0.44539536584 0.623082933001} H21 36 1 6 {} {0.58350613879 0.347102200885 0.308838520267} C4 37 1 14 {} {0.579284044874 0.379815217987 0.426411923062} Si6 38 1 14 {} {0.567418171724 0.258112847665 0.29084888268} Si7 39 1 8 {} {0.608422689916 0.331140923876 0.494013653049} O5 40 1 8 {} {0.601161710398 0.455528329197 0.430917325583} O6 41 1 6 {} {0.520277507876 0.38672425971 0.463394514585} C5 42 1 6 {} {0.506517236929 0.247490106 0.267291464173} C6 43 1 8 {} {0.582521036725 0.219436401821 0.38522969831} O7 44 1 8 {} {0.597160770901 0.221276504114 0.210937686515} O8 45 1 14 {} {0.644929609308 0.50053324366 0.459598381187} Si8 46 1 7 {} {0.629353609355 0.581605046098 0.486561183102} N4 47 1 14 {} {0.635980601009 0.609391371971 0.596970965805} Si9 48 1 14 {} {0.605487716479 0.635325364751 0.407667073149} Si10 49 1 7 {} {0.616653077712 0.615816127279 0.298128911788} N5 50 1 7 {} {0.688781484477 0.629305743456 0.633607026882} N6 51 1 1 {} {0.563984487077 0.379007065789 0.263152189941} H22 52 1 1 {} {0.618787144785 0.352301603945 0.288997375986} H23 53 1 1 {} {0.605894332049 0.2840725433 0.476612395917} H24 54 1 1 {} {0.502046133883 0.418738511195 0.416683997422} H25 55 1 1 {} {0.518448576484 0.40994962955 0.529841814082} H26 56 1 1 {} {0.503213100103 0.338098254764 0.466083935227} H27 57 1 1 {} {0.49724786237 0.194355626386 0.262733525847} H28 58 1 1 {} {0.497195301595 0.271613379931 0.203946881833} H29 59 1 1 {} {0.48613549262 0.270312265317 0.320159096972} H30 60 1 1 {} {0.585456506474 0.171133071149 0.38290938463} H31 61 1 1 {} {0.583915510922 0.21709189963 0.152290132162} H32 62 1 1 {} {0.666969237107 0.471824139079 0.540231821015} H33 63 1 1 {} {0.676614120231 0.500194094103 0.38292759812} H34 64 1 1 {} {0.608405374039 0.671399072072 0.603374844031} H35 65 1 1 {} {0.619565632348 0.556293214266 0.65845664608} H36 66 1 1 {} {0.555713151121 0.634606672381 0.415134825997} H37 67 1 1 {} {0.622476995977 0.704168544248 0.425454580488} H38 68 1 1 {} {0.600164902726 0.577598092685 0.267744077644} H39 69 1 1 {} {0.648243412222 0.619639589676 0.273687677126} H40 70 1 1 {} {0.710082355466 0.592015755113 0.651080536655} H41 71 1 1 {} {0.705712382719 0.668228458041 0.606207657423} 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