#MD System 2.0 @Title neb0_image04 @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 {} {0.354788500099 0.545451979918 0.422425085344} C1 1 1 14 {} {0.335752014954 0.512449428484 0.533481092243} Si1 2 1 14 {} {0.41003017896 0.58756895127 0.418239990402} Si2 3 1 8 {} {0.338991212215 0.572721622977 0.608746882477} O1 4 1 8 {} {0.282830984055 0.490460799798 0.525545814443} O2 5 1 6 {} {0.367385926578 0.436484022944 0.568875449609} C2 6 1 6 {} {0.459101070193 0.529968912086 0.411964271317} C3 7 1 8 {} {0.411627712103 0.631990906897 0.513336066457} O3 8 1 8 {} {0.410350683607 0.638457405829 0.330453330875} O4 9 1 14 {} {0.230501759513 0.49607533363 0.556153900026} Si3 10 1 7 {} {0.210851200103 0.417354126594 0.587587007148} N1 11 1 14 {} {0.174814905655 0.412998664187 0.679431624946} Si4 12 1 14 {} {0.226456307636 0.347342390984 0.523652116295} Si5 13 1 7 {} {0.227674530131 0.359708555812 0.410034889443} N2 14 1 7 {} {0.127308478937 0.461333940342 0.672250122554} N3 15 1 1 {} {0.354340308463 0.50501934924 0.372391507592} H1 16 1 1 {} {0.329856191466 0.58262458118 0.400426285931} H2 17 1 1 {} {0.362778358466 0.604854264351 0.595690481102} H3 18 1 1 {} {0.364065321542 0.395486004858 0.520377345827} H4 19 1 1 {} {0.354711427077 0.418427208584 0.633379337433} H5 20 1 1 {} {0.403098127469 0.447461320587 0.577168864381} H6 21 1 1 {} {0.490881407482 0.557617703929 0.411189511906} H7 22 1 1 {} {0.457674996918 0.499378867025 0.350992656513} H8 23 1 1 {} {0.46006555677 0.495807354349 0.469395201921} H9 24 1 1 {} {0.436885532299 0.661295458421 0.523622975542} H10 25 1 1 {} {0.438692817101 0.647266981694 0.301682324438} H11 26 1 1 {} {0.22471255502 0.541719069686 0.634168881691} H12 27 1 1 {} {0.204976229153 0.522617745279 0.478457658356} H13 28 1 1 {} {0.161923188052 0.341303377528 0.68756446358} H14 29 1 1 {} {0.197850593802 0.43733763125 0.761332273452} H15 30 1 1 {} {0.272381664657 0.325653713238 0.548561042103} H16 31 1 1 {} {0.193321834244 0.293924553272 0.543925826755} H17 32 1 1 {} {0.254107678293 0.383710247833 0.382095489436} H18 33 1 1 {} {0.19919931774 0.370374158437 0.376028152977} H19 34 1 1 {} {0.127110366166 0.508919951408 0.696032084884} H20 35 1 1 {} {0.104634853959 0.455399107052 0.622486557159} H21 36 1 6 {} {0.587172888974 0.337206332546 0.309440046276} C4 37 1 14 {} {0.582396602868 0.370775858472 0.426421299949} Si6 38 1 14 {} {0.571221974597 0.248119939184 0.291530692153} Si7 39 1 8 {} {0.611022692556 0.32170275475 0.494447545605} O5 40 1 8 {} {0.605044448392 0.445811636479 0.431446926353} O6 41 1 6 {} {0.52314038538 0.379475228606 0.463054805451} C5 42 1 6 {} {0.51031971274 0.237515734994 0.267891234843} C6 43 1 8 {} {0.586503766899 0.209488892563 0.385802942204} O7 44 1 8 {} {0.600939938148 0.211123968728 0.21164231722} O8 45 1 14 {} {0.648773667671 0.49066038582 0.460097475118} Si8 46 1 7 {} {0.633280457795 0.571741370253 0.487177173463} N4 47 1 14 {} {0.639526161851 0.599287256705 0.597473644502} Si9 48 1 14 {} {0.609394172242 0.625395436825 0.407687952382} Si10 49 1 7 {} {0.62038329756 0.606353556554 0.298113839487} N5 50 1 7 {} {0.69255144146 0.619103104409 0.633633342469} N6 51 1 1 {} {0.567757481954 0.368974868008 0.263497688761} H22 52 1 1 {} {0.622500317175 0.342352520822 0.289850480947} H23 53 1 1 {} {0.609471634424 0.274562659473 0.476964387588} H24 54 1 1 {} {0.504025186432 0.412451273109 0.418498512958} H25 55 1 1 {} {0.521926080965 0.400955396357 0.530572306774} H26 56 1 1 {} {0.506353721309 0.330566534763 0.465437594743} H27 57 1 1 {} {0.500982954862 0.184412856748 0.263234456353} H28 58 1 1 {} {0.501089425572 0.261698818854 0.204514788953} H29 59 1 1 {} {0.489897297917 0.260445111899 0.32061813852} H30 60 1 1 {} {0.589160149698 0.161142340203 0.383556101309} H31 61 1 1 {} {0.587730805586 0.20711259996 0.152922235004} H32 62 1 1 {} {0.670780063263 0.461845528234 0.540742572315} H33 63 1 1 {} {0.680506884825 0.490231202833 0.383453890902} H34 64 1 1 {} {0.612255427296 0.661548258265 0.604281224917} H35 65 1 1 {} {0.62340074959 0.546375830937 0.659508759192} H36 66 1 1 {} {0.559658168489 0.624480779429 0.415871654748} H37 67 1 1 {} {0.626323004672 0.694171174764 0.426395685581} H38 68 1 1 {} {0.604129241603 0.56760566176 0.268596725361} H39 69 1 1 {} {0.652065670825 0.609661866583 0.274302217293} H40 70 1 1 {} {0.713916933686 0.581947535014 0.65168952719} H41 71 1 1 {} {0.709495367599 0.658256363645 0.606569556245} 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