#MD System 2.0 @Title neb0_image02 @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 {} {0.205099805884 0.528756797224 0.309819784971} C1 1 1 14 {} {0.259027315962 0.491720429432 0.26807274494} Si1 2 1 14 {} {0.158372292626 0.537200178915 0.228877390167} Si2 3 1 8 {} {0.271610645608 0.524736610167 0.170190725461} O1 4 1 8 {} {0.299013131434 0.511961043636 0.338928819086} O2 5 1 6 {} {0.257041081417 0.398545279265 0.261085527967} C2 6 1 6 {} {0.126836135631 0.457477409385 0.211115092777} C3 7 1 8 {} {0.182834855818 0.562926843398 0.134517531666} O3 8 1 8 {} {0.123056553197 0.598356796813 0.255898836869} O4 9 1 14 {} {0.350524702214 0.540940033019 0.344143766683} Si3 10 1 7 {} {0.38526422097 0.4780502716 0.385792552406} N1 11 1 14 {} {0.439653929838 0.476417608487 0.344762256393} Si4 12 1 14 {} {0.364902105773 0.423852977398 0.468558844339} Si5 13 1 7 {} {0.335696807607 0.461553058423 0.553956749749} N2 14 1 7 {} {0.461629385318 0.556107979493 0.350900246706} N3 15 1 1 {} {0.19348407091 0.50013126048 0.3682856664} H1 16 1 1 {} {0.212960579457 0.579600674079 0.333940923962} H2 17 1 1 {} {0.246128602629 0.544942721165 0.139423712938} H3 18 1 1 {} {0.251882189632 0.375490207635 0.326879974546} H4 19 1 1 {} {0.288765612254 0.379507853576 0.234318458519} H5 20 1 1 {} {0.230276140474 0.38150048879 0.216344430014} H6 21 1 1 {} {0.100340884805 0.46371173231 0.161033924232} H7 22 1 1 {} {0.111285715138 0.439749924873 0.273287771367} H8 23 1 1 {} {0.149248087837 0.41767474471 0.187501439701} H9 24 1 1 {} {0.164351701904 0.586149402577 0.0913831608866} H10 25 1 1 {} {0.0946663149611 0.58594568581 0.281928137017} H11 26 1 1 {} {0.366909950177 0.560971339193 0.254252398545} H12 27 1 1 {} {0.349363569139 0.599817290216 0.40520343653} H13 28 1 1 {} {0.463662793903 0.423974781406 0.397359525692} H14 29 1 1 {} {0.441763453184 0.459033990214 0.247960417963} H15 30 1 1 {} {0.333442974467 0.374700297444 0.428234845923} H16 31 1 1 {} {0.404367942516 0.389550446679 0.507787643451} H17 32 1 1 {} {0.304094863519 0.478043127097 0.542896586994} H18 33 1 1 {} {0.351674121899 0.492056953896 0.59789956646} H19 34 1 1 {} {0.484551092794 0.571056203522 0.304974189059} H20 35 1 1 {} {0.467380144295 0.578349786775 0.410784711938} H21 36 1 6 {} {0.655128312222 0.63714103502 0.502785308553} C4 37 1 14 {} {0.615626804271 0.573310217031 0.455008364259} Si6 38 1 14 {} {0.65271679919 0.723801355539 0.457972607422} Si7 39 1 8 {} {0.613196617474 0.58160425513 0.345381560096} O5 40 1 8 {} {0.635396940225 0.498555378833 0.479236382172} O6 41 1 6 {} {0.558566158465 0.579401416297 0.504268271211} C5 42 1 6 {} {0.605157108333 0.774257726452 0.50274568236} C6 43 1 8 {} {0.648415964741 0.712993119424 0.347489725292} O7 44 1 8 {} {0.700317648782 0.765216801873 0.473529773235} O8 45 1 14 {} {0.645965372475 0.420674094933 0.451272177558} Si8 46 1 7 {} {0.600654247617 0.368507200432 0.469566167896} N4 47 1 14 {} {0.581076455963 0.319215674469 0.380774886571} Si9 48 1 14 {} {0.575859566796 0.365032714013 0.575607758412} Si10 49 1 7 {} {0.611303178642 0.383987979772 0.662759134957} N5 50 1 7 {} {0.615967102623 0.256529565092 0.343416724751} N6 51 1 1 {} {0.651001351626 0.638647667274 0.57588193183} H22 52 1 1 {} {0.689203946526 0.618437862566 0.490315547327} H23 53 1 1 {} {0.625604174464 0.623869103028 0.323470629187} H24 54 1 1 {} {0.558632506847 0.569552699176 0.576416990288} H25 55 1 1 {} {0.536583561693 0.542370473177 0.472419627306} H26 56 1 1 {} {0.544082130726 0.62932808614 0.493211715068} H27 57 1 1 {} {0.604404475183 0.824659737963 0.473296248782} H28 58 1 1 {} {0.607198657311 0.77979958643 0.575682576462} H29 59 1 1 {} {0.573085951586 0.750105445924 0.487548719476} H30 60 1 1 {} {0.656483220504 0.750371793937 0.309527944691} H31 61 1 1 {} {0.700689221508 0.800178737206 0.518215768398} H32 62 1 1 {} {0.657454923877 0.415610597938 0.354604195573} H33 63 1 1 {} {0.685141891634 0.400304541931 0.506198779312} H34 64 1 1 {} {0.539297626787 0.287391885793 0.41379588373} H35 65 1 1 {} {0.572892075661 0.362155949217 0.301372169263} H36 66 1 1 {} {0.538696189021 0.414437769132 0.582278583315} H37 67 1 1 {} {0.558787398031 0.295650656512 0.587682768348} H38 68 1 1 {} {0.617639391326 0.432460323705 0.677784045574} H39 69 1 1 {} {0.638101667748 0.354875794733 0.676034353607} H40 70 1 1 {} {0.640638281973 0.267618778786 0.299231821939} H41 71 1 1 {} {0.625547163206 0.218684681613 0.384721509207} 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