#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 {} {0.213043829405 0.527266942272 0.32258436934} C1 1 1 14 {} {0.266939104331 0.490211763576 0.280791170788} Si1 2 1 14 {} {0.166340134799 0.535701909913 0.241632984128} Si2 3 1 8 {} {0.279524922854 0.523108743264 0.182855635823} O1 4 1 8 {} {0.306796910226 0.510649328212 0.351836097837} O2 5 1 6 {} {0.264951556236 0.39702442065 0.273878566321} C2 6 1 6 {} {0.134785451293 0.455982531305 0.223899365441} C3 7 1 8 {} {0.190761694025 0.561672614801 0.147331316003} O3 8 1 8 {} {0.13095813089 0.596736964568 0.268773696155} O4 9 1 14 {} {0.358302278294 0.539528652134 0.356910159801} Si3 10 1 7 {} {0.392855285242 0.476318937987 0.39848852597} N1 11 1 14 {} {0.446959127062 0.474735679495 0.356187972815} Si4 12 1 14 {} {0.372650601708 0.422226212751 0.481520600681} Si5 13 1 7 {} {0.343564918413 0.460139649955 0.566918828141} N2 14 1 7 {} {0.467240494927 0.555617017884 0.359943017655} N3 15 1 1 {} {0.201403159132 0.498674931337 0.381063030557} H1 16 1 1 {} {0.220886106145 0.578118506356 0.346704413988} H2 17 1 1 {} {0.254051802012 0.543466422032 0.152194520072} H3 18 1 1 {} {0.25977994672 0.373995708445 0.33969692708} H4 19 1 1 {} {0.296670580262 0.378000875189 0.247099433934} H5 20 1 1 {} {0.238172556852 0.380022891876 0.229119823598} H6 21 1 1 {} {0.108269771788 0.462268822249 0.173864147586} H7 22 1 1 {} {0.119228375866 0.438319505455 0.286106842731} H8 23 1 1 {} {0.15715058651 0.416124544829 0.20029020226} H9 24 1 1 {} {0.172225198069 0.584734918026 0.104173980264} H10 25 1 1 {} {0.102574509904 0.584340310854 0.29479315609} H11 26 1 1 {} {0.374735353238 0.559460798066 0.267053488355} H12 27 1 1 {} {0.357264154076 0.598371047402 0.418092387488} H13 28 1 1 {} {0.471599853997 0.423237586458 0.409766392907} H14 29 1 1 {} {0.449440691804 0.456421828079 0.259614397309} H15 30 1 1 {} {0.341248503341 0.373096348095 0.441091093674} H16 31 1 1 {} {0.412256935917 0.388102711393 0.520529759447} H17 32 1 1 {} {0.311966057508 0.476660717239 0.555745913238} H18 33 1 1 {} {0.359586122958 0.490647247211 0.61076128545} H19 34 1 1 {} {0.49198035808 0.568855117472 0.316739111618} H20 35 1 1 {} {0.472334263037 0.577279239046 0.420540859284} H21 36 1 6 {} {0.6478130802 0.638913840799 0.489970763949} C4 37 1 14 {} {0.608435862031 0.575130620574 0.443061782327} Si6 38 1 14 {} {0.644922171379 0.725435821489 0.445050963049} Si7 39 1 8 {} {0.604890881409 0.58326794001 0.33336636129} O5 40 1 8 {} {0.627656464589 0.499996004006 0.466401407466} O6 41 1 6 {} {0.551968643714 0.58124698462 0.49414010275} C5 42 1 6 {} {0.597277693347 0.77570330547 0.489888289746} C6 43 1 8 {} {0.640519059718 0.714456252315 0.334632096786} O7 44 1 8 {} {0.69251993139 0.766738043184 0.460674519047} O8 45 1 14 {} {0.638067659989 0.422065891994 0.438500985717} Si8 46 1 7 {} {0.592717678194 0.369962532434 0.456737965394} N4 47 1 14 {} {0.573125741884 0.320652650687 0.368064219323} Si9 48 1 14 {} {0.567952751708 0.366556777069 0.563012953337} Si10 49 1 7 {} {0.603284348164 0.385398909376 0.64969116229} N5 50 1 7 {} {0.60804617523 0.257880359165 0.330576696912} N6 51 1 1 {} {0.643198928507 0.640114012588 0.562945438872} H22 52 1 1 {} {0.681852574455 0.620185426175 0.477573860708} H23 53 1 1 {} {0.617554752295 0.625178765144 0.310782163039} H24 54 1 1 {} {0.551857074968 0.571900209763 0.566402676581} H25 55 1 1 {} {0.531292036765 0.542673527176 0.462227519195} H26 56 1 1 {} {0.536750016337 0.630516821532 0.481434047394} H27 57 1 1 {} {0.596511401852 0.826120088404 0.460472457345} H28 58 1 1 {} {0.599327496933 0.78125245286 0.562823581686} H29 59 1 1 {} {0.565198193493 0.751573032237 0.4747174715} H30 60 1 1 {} {0.648571858859 0.751803307494 0.296616841781} H31 61 1 1 {} {0.692831212547 0.801690529585 0.505416122538} H32 62 1 1 {} {0.649550072854 0.417122278417 0.34178847051} H33 63 1 1 {} {0.67726164882 0.401824295634 0.493395727907} H34 64 1 1 {} {0.531382937674 0.288786973508 0.401083373969} H35 65 1 1 {} {0.564975051723 0.363596816615 0.288654093465} H36 66 1 1 {} {0.530756542503 0.415954938049 0.569715134315} H37 67 1 1 {} {0.550837491484 0.297106823081 0.574866269236} H38 68 1 1 {} {0.609714240246 0.43398330704 0.665051386785} H39 69 1 1 {} {0.630251191672 0.35621778185 0.663241275687} H40 70 1 1 {} {0.632703404348 0.269068558 0.2864414604} H41 71 1 1 {} {0.617602252945 0.220105633056 0.371795027157} 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