#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 {} {0.249004413797 0.521142622475 0.381272021803} C1 1 1 14 {} {0.299266471931 0.481634739853 0.339701404249} Si1 2 1 14 {} {0.205082018497 0.529271634228 0.301277367203} Si2 3 1 8 {} {0.313698239117 0.501640052119 0.235860374589} O1 4 1 8 {} {0.326030003965 0.523872040724 0.423348666763} O2 5 1 6 {} {0.302909432665 0.388089558351 0.338265040392} C2 6 1 6 {} {0.173082100997 0.449913115387 0.284171517721} C3 7 1 8 {} {0.230165459791 0.565189937543 0.213349348788} O3 8 1 8 {} {0.169168348192 0.583415299423 0.339068289746} O4 9 1 14 {} {0.382209578241 0.532836087678 0.401699167097} Si3 10 1 7 {} {0.382108251275 0.427756472844 0.431857451517} N1 11 1 14 {} {0.380539315003 0.397431463763 0.19010872605} Si4 12 1 14 {} {0.398417548938 0.404126558868 0.553788731837} Si5 13 1 7 {} {0.374690323343 0.448652146637 0.647128985261} N2 14 1 7 {} {0.182963912858 0.631685070343 -0.118607804224} N3 15 1 1 {} {0.239537780146 0.492247815968 0.440909410628} H1 16 1 1 {} {0.26199041699 0.571178886952 0.403666242402} H2 17 1 1 {} {0.292367293636 0.536832975508 0.207497140884} H3 18 1 1 {} {0.296661613957 0.362586382355 0.400970301786} H4 19 1 1 {} {0.333931495831 0.366704823864 0.312579905825} H5 20 1 1 {} {0.276207634667 0.37401093595 0.292806145827} H6 21 1 1 {} {0.146585664561 0.458549428892 0.2350857656} H7 22 1 1 {} {0.156764929306 0.435440200849 0.347911696904} H8 23 1 1 {} {0.193319586711 0.406865176081 0.262728501265} H9 24 1 1 {} {0.207087451499 0.580172943362 0.166282397066} H10 25 1 1 {} {0.139606573073 0.56846889564 0.362115405051} H11 26 1 1 {} {0.391559583454 0.546843772105 0.316794504216} H12 27 1 1 {} {0.399966773561 0.58779493047 0.479598508801} H13 28 1 1 {} {0.502981675555 0.539335767766 0.366421604299} H14 29 1 1 {} {0.447820092358 0.274930944933 0.178088569428} H15 30 1 1 {} {0.368569139161 0.340495065373 0.523120124491} H16 31 1 1 {} {0.449650154405 0.381600043547 0.577392293758} H17 32 1 1 {} {0.348650663144 0.472574492338 0.622904385353} H18 33 1 1 {} {0.391525812636 0.486143069879 0.675900421011} H19 34 1 1 {} {0.381194615543 0.519734550031 0.249458700608} H20 35 1 1 {} {0.019748969427 0.663266152573 -0.0588699763598} H21 36 1 6 {} {0.707549390372 0.674385213496 0.431498155288} C4 37 1 14 {} {0.68390645952 0.621966688276 0.487512796178} Si6 38 1 14 {} {0.627394617025 0.747380148398 0.374499086923} Si7 39 1 8 {} {0.528607448199 0.615396081967 0.413938654061} O5 40 1 8 {} {0.63662287619 0.50390094883 0.400722435616} O6 41 1 6 {} {0.712578974366 0.638485193923 0.799201142621} C5 42 1 6 {} {0.563184220978 0.777441428863 0.424956663587} C6 43 1 8 {} {0.612718201606 0.721354732943 0.268249905377} O7 44 1 8 {} {0.66546389472 0.815898433031 0.380757852093} O8 45 1 14 {} {0.609087496135 0.420026849313 0.386209159945} Si8 46 1 7 {} {0.554370622198 0.374413700968 0.38869810716} N4 47 1 14 {} {0.536795473892 0.327021733515 0.315729884067} Si9 48 1 14 {} {0.535369384824 0.368706076137 0.519634258843} Si10 49 1 7 {} {0.573537840327 0.386641500359 0.57786002001} N5 50 1 7 {} {0.566422374434 0.256518738394 0.257805680428} N6 51 1 1 {} {0.63909824777 0.653073933469 0.483575127823} H22 52 1 1 {} {0.748409233863 0.695014385876 0.450552723479} H23 53 1 1 {} {0.550810336285 0.610997128551 0.275312200081} H24 54 1 1 {} {0.684356596422 0.71728716942 0.897746193512} H25 55 1 1 {} {0.884657249965 0.396450556368 0.857167812636} H26 56 1 1 {} {0.583659797953 0.533361693541 0.568051136058} H27 57 1 1 {} {0.559873504468 0.829713310416 0.394587898322} H28 58 1 1 {} {0.562594698289 0.788529953499 0.498135227791} H29 59 1 1 {} {0.528389166169 0.759156291437 0.410575181975} H30 60 1 1 {} {0.608424142587 0.757605614331 0.221505148693} H31 61 1 1 {} {0.658543945962 0.828300910487 0.44908029333} H32 62 1 1 {} {0.611593240043 0.418462595015 0.274329235113} H33 63 1 1 {} {0.646860597039 0.398699603706 0.437206609757} H34 64 1 1 {} {0.493708490107 0.294368856388 0.343247903872} H35 65 1 1 {} {0.525964271925 0.371527749491 0.234323154842} H36 66 1 1 {} {0.502162928137 0.422146636202 0.564896893598} H37 67 1 1 {} {0.51240329026 0.296374185581 0.516219571384} H38 68 1 1 {} {0.569923538325 0.435092412218 0.608873260035} H39 69 1 1 {} {0.601532014644 0.361714299538 0.614164043362} H40 70 1 1 {} {0.590768655472 0.275337426033 0.220835321395} H41 71 1 1 {} {0.575271256957 0.222116653545 0.296497707733} 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