#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 {} {0.213027788267 0.527271226023 0.322576697878} C1 1 1 14 {} {0.266934073973 0.490227685547 0.280798459729} Si1 2 1 14 {} {0.166326453227 0.535702788822 0.24161233718} Si2 3 1 8 {} {0.279507359636 0.523140459162 0.182858065926} O1 4 1 8 {} {0.306788631222 0.51063084281 0.35179318576} O2 5 1 6 {} {0.264939216591 0.397039458651 0.27384677151} C2 6 1 6 {} {0.134769094442 0.455986616019 0.22388274625} C3 7 1 8 {} {0.190755965684 0.56166464841 0.14732492281} O3 8 1 8 {} {0.130950484401 0.596746945978 0.268730252256} O4 9 1 14 {} {0.358304629374 0.539531416619 0.35688666468} Si3 10 1 7 {} {0.392856819157 0.476341528712 0.39851698691} N1 11 1 14 {} {0.446973565805 0.474720832123 0.356319783394} Si4 12 1 14 {} {0.372646216648 0.422243799109 0.481490769194} Si5 13 1 7 {} {0.343553945464 0.460142057822 0.566875424898} N2 14 1 7 {} {0.467359925725 0.555542848862 0.360148591728} N3 15 1 1 {} {0.201390008073 0.498671222131 0.381045317493} H1 16 1 1 {} {0.220871754538 0.578120817873 0.346697412689} H2 17 1 1 {} {0.254039625074 0.543470272453 0.152185767767} H3 18 1 1 {} {0.259773774621 0.374009777099 0.339664950937} H4 19 1 1 {} {0.296660828776 0.378008098008 0.247078394878} H5 20 1 1 {} {0.238162901374 0.380022093465 0.229102046061} H6 21 1 1 {} {0.108257049145 0.462269309719 0.173846060602} H7 22 1 1 {} {0.119216654724 0.43831843258 0.286089001048} H8 23 1 1 {} {0.157142737519 0.416141142835 0.200271705132} H9 24 1 1 {} {0.172219302485 0.584735044489 0.104144980056} H10 25 1 1 {} {0.102560703848 0.584364657576 0.294760998654} H11 26 1 1 {} {0.37473137196 0.559462735113 0.26704519951} H12 27 1 1 {} {0.357252994494 0.59836498676 0.418050344069} H13 28 1 1 {} {0.471585695748 0.42318049742 0.409803175838} H14 29 1 1 {} {0.449474045067 0.456578006139 0.259703646095} H15 30 1 1 {} {0.341250128938 0.373128121162 0.441061417984} H16 31 1 1 {} {0.412243789968 0.388106965328 0.520509333732} H17 32 1 1 {} {0.311960725822 0.476662657637 0.555727688084} H18 33 1 1 {} {0.359582655559 0.490645682193 0.610743139413} H19 34 1 1 {} {0.492007623315 0.568940948645 0.316885502857} H20 35 1 1 {} {0.472562481432 0.577223322428 0.42070219444} H21 36 1 6 {} {0.647750172435 0.638877379202 0.489979508958} C4 37 1 14 {} {0.608401509222 0.575112082207 0.442975618944} Si6 38 1 14 {} {0.644917311024 0.725409285258 0.445083636759} Si7 39 1 8 {} {0.604943161724 0.583237052859 0.333285835107} O5 40 1 8 {} {0.627626891544 0.499985432637 0.466423654159} O6 41 1 6 {} {0.551928037121 0.581231324912 0.493996903761} C5 42 1 6 {} {0.597290212478 0.775698423045 0.489910409009} C6 43 1 8 {} {0.640528268965 0.714449814959 0.334654594297} O7 44 1 8 {} {0.692522321941 0.766711957487 0.460727026612} O8 45 1 14 {} {0.638071025391 0.422062221398 0.438492720222} Si8 46 1 7 {} {0.592738890236 0.369969115624 0.456772335628} N4 47 1 14 {} {0.573142700741 0.320634338661 0.36805727097} Si9 48 1 14 {} {0.567937671751 0.366527396839 0.562967824062} Si10 49 1 7 {} {0.603388286313 0.385424672745 0.649833854829} N5 50 1 7 {} {0.608039427133 0.257924063702 0.330602164165} N6 51 1 1 {} {0.64318253457 0.640101864886 0.562975632858} H22 52 1 1 {} {0.681775139264 0.620127672081 0.47758142838} H23 53 1 1 {} {0.617591844746 0.62519501085 0.310784982921} H24 54 1 1 {} {0.551747136797 0.5717834012 0.566191021012} H25 55 1 1 {} {0.53119400747 0.542778982745 0.462034445348} H26 56 1 1 {} {0.536716343604 0.630581219376 0.481329228352} H27 57 1 1 {} {0.596520784693 0.826113446484 0.460492263918} H28 58 1 1 {} {0.599335452964 0.781242741781 0.562849238131} H29 59 1 1 {} {0.565209472148 0.751568319917 0.47473675444} H30 60 1 1 {} {0.648582699052 0.751801898003 0.296656929438} H31 61 1 1 {} {0.692838360321 0.801664699035 0.505426411647} H32 62 1 1 {} {0.649560790194 0.417118457078 0.341816586021} H33 63 1 1 {} {0.677263903763 0.40182394435 0.493409430978} H34 64 1 1 {} {0.531399468622 0.288783890056 0.401086982582} H35 65 1 1 {} {0.564988221585 0.363577358645 0.288690653046} H36 66 1 1 {} {0.530766626897 0.415974337994 0.569715337816} H37 67 1 1 {} {0.550849951885 0.297114870196 0.574889064542} H38 68 1 1 {} {0.609721583027 0.433894693697 0.665038908555} H39 69 1 1 {} {0.630201467924 0.356282356777 0.663228534773} H40 70 1 1 {} {0.632733325396 0.269075545571 0.286453020063} H41 71 1 1 {} {0.61763182593 0.220085738852 0.371877994747} 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