#MD System 2.0 @Title neb0_image05 @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 {} {0.213532127382 0.5272797259 0.323037368897} C1 1 1 14 {} {0.267308830245 0.490003998345 0.281574567391} Si1 2 1 14 {} {0.166872942149 0.535453183869 0.242183753308} Si2 3 1 8 {} {0.279833179783 0.52199573082 0.183071311283} O1 4 1 8 {} {0.30710547783 0.510918428427 0.35260671355} O2 5 1 6 {} {0.265377995015 0.396840331092 0.274800019949} C2 6 1 6 {} {0.135287508806 0.455791721723 0.224617478379} C3 7 1 8 {} {0.191111016032 0.561861186875 0.148035364339} O3 8 1 8 {} {0.131465466626 0.596071507424 0.270149189629} O4 9 1 14 {} {0.358590721061 0.539573143307 0.357799532266} Si3 10 1 7 {} {0.392619038906 0.475825890834 0.398984903275} N1 11 1 14 {} {0.445567037888 0.473450729656 0.352800941112} Si4 12 1 14 {} {0.372956966533 0.421978053149 0.482666887182} Si5 13 1 7 {} {0.343839751805 0.459880888697 0.567987255227} N2 14 1 7 {} {0.4617026045 0.557128747367 0.350267482026} N3 15 1 1 {} {0.201928462829 0.498660094502 0.381494424175} H1 16 1 1 {} {0.221542121795 0.578102882762 0.347007403764} H2 17 1 1 {} {0.254704907057 0.543327419225 0.152587653515} H3 18 1 1 {} {0.260154566881 0.373544530121 0.340358402158} H4 19 1 1 {} {0.297048470162 0.377593099352 0.248121604167} H5 20 1 1 {} {0.238585173063 0.380007503426 0.229983410879} H6 21 1 1 {} {0.108778831955 0.462353790178 0.174589405149} H7 22 1 1 {} {0.119660162034 0.438350444276 0.286915552656} H8 23 1 1 {} {0.15752671003 0.415759883075 0.201049079329} H9 24 1 1 {} {0.172410683052 0.584837164664 0.104949065239} H10 25 1 1 {} {0.103026687329 0.583676287123 0.295968942878} H11 26 1 1 {} {0.374977062555 0.559402890911 0.268211687264} H12 27 1 1 {} {0.357740634819 0.5982034329 0.418997930015} H13 28 1 1 {} {0.472063537263 0.425154404996 0.408834107561} H14 29 1 1 {} {0.449219619588 0.453179496272 0.257916678454} H15 30 1 1 {} {0.341635850194 0.372721673661 0.442004771238} H16 31 1 1 {} {0.412773403777 0.387954149849 0.521019022938} H17 32 1 1 {} {0.312364894643 0.476580226167 0.556452048909} H18 33 1 1 {} {0.359823520137 0.490755154263 0.611450128654} H19 34 1 1 {} {0.491115923677 0.566989506032 0.315786131338} H20 35 1 1 {} {0.465110939494 0.578420153591 0.411651609903} H21 36 1 6 {} {0.648855636779 0.639691354126 0.489077957708} C4 37 1 14 {} {0.609699276148 0.576054422177 0.444637681819} Si6 38 1 14 {} {0.644759666413 0.725909297492 0.443997296724} Si7 39 1 8 {} {0.603027083187 0.584060912405 0.335107263395} O5 40 1 8 {} {0.627986553594 0.500243438858 0.465726566102} O6 41 1 6 {} {0.555181840207 0.582545578121 0.500976892327} C5 42 1 6 {} {0.596908588826 0.775924564152 0.489140570541} C6 43 1 8 {} {0.640119668824 0.71458754945 0.333664060552} O7 44 1 8 {} {0.692243565516 0.767517359402 0.459447391442} O8 45 1 14 {} {0.637743841327 0.422193113494 0.438194017856} Si8 46 1 7 {} {0.592312321633 0.370001838216 0.455830735529} N4 47 1 14 {} {0.572865170166 0.320680844394 0.367731866842} Si9 48 1 14 {} {0.567244921987 0.366659404456 0.561837443905} Si10 49 1 7 {} {0.603002968021 0.385462228602 0.648255540262} N5 50 1 7 {} {0.607266599912 0.257735751349 0.329112166168} N6 51 1 1 {} {0.643322694432 0.640335320157 0.561763690729} H22 52 1 1 {} {0.682961449115 0.621578822721 0.476965323856} H23 53 1 1 {} {0.616598848709 0.624797224131 0.310430939758} H24 54 1 1 {} {0.554178199542 0.574492005737 0.573415609953} H25 55 1 1 {} {0.537987189732 0.539901504269 0.469694588009} H26 56 1 1 {} {0.537781259562 0.629247868082 0.483636489313} H27 57 1 1 {} {0.596059145707 0.826318510683 0.45957371391} H28 58 1 1 {} {0.598911630841 0.781529640042 0.562104270907} H29 59 1 1 {} {0.564786174426 0.751887099676 0.474023802395} H30 60 1 1 {} {0.648151302918 0.751794084113 0.295419737753} H31 61 1 1 {} {0.692486254285 0.802055391344 0.504542984871} H32 62 1 1 {} {0.649093618311 0.417369801944 0.340965214598} H33 63 1 1 {} {0.676983340225 0.402100011827 0.492888181509} H34 64 1 1 {} {0.530951235165 0.28910837791 0.400543468231} H35 65 1 1 {} {0.564516920726 0.363816310081 0.288096384846} H36 66 1 1 {} {0.530155112036 0.415806818608 0.570015996475} H37 67 1 1 {} {0.55048344694 0.296833748782 0.574233993015} H38 68 1 1 {} {0.609074696667 0.434137053486 0.664385167926} H39 69 1 1 {} {0.629860445939 0.356292071355 0.662756950057} H40 70 1 1 {} {0.631959910217 0.269127097698 0.285400078449} H41 71 1 1 {} {0.616794427328 0.219879069994 0.370282334448} 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