#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 {} {0.212837738672 0.527278957315 0.322402725779} C1 1 1 14 {} {0.266770406839 0.490306374696 0.28055111604} Si1 2 1 14 {} {0.166139065014 0.535793247819 0.241410674046} Si2 3 1 8 {} {0.279397545287 0.523493084969 0.182807718532} O1 4 1 8 {} {0.306742236815 0.510584220471 0.351564397124} O2 5 1 6 {} {0.264801033236 0.397118120602 0.273530877137} C2 6 1 6 {} {0.134606662967 0.456067760707 0.223650228363} C3 7 1 8 {} {0.190629250753 0.561602011027 0.147118378942} O3 8 1 8 {} {0.130789109541 0.596937100277 0.268272713284} O4 9 1 14 {} {0.358219402486 0.539492703397 0.356623597687} Si3 10 1 7 {} {0.392994311711 0.476585639297 0.398236173151} N1 11 1 14 {} {0.447327740363 0.475064269125 0.357284946565} Si4 12 1 14 {} {0.372571310159 0.422402731094 0.481093933367} Si5 13 1 7 {} {0.343478683317 0.460218379676 0.566453517897} N2 14 1 7 {} {0.469148234597 0.554671900668 0.363321786752} N3 15 1 1 {} {0.201226288295 0.49867928806 0.380886455661} H1 16 1 1 {} {0.220661553459 0.578109243492 0.346587468895} H2 17 1 1 {} {0.253830035713 0.543506574397 0.15205689629} H3 18 1 1 {} {0.2596522253 0.374166528642 0.339410595937} H4 19 1 1 {} {0.296532788954 0.378122526373 0.246749670962} H5 20 1 1 {} {0.238033258291 0.380014405318 0.228835913353} H6 21 1 1 {} {0.108086945342 0.462236488128 0.173596518712} H7 22 1 1 {} {0.119073928523 0.438305220705 0.285823515659} H8 23 1 1 {} {0.15701691901 0.416266863167 0.200020545526} H9 24 1 1 {} {0.172161244615 0.584698058754 0.103895355762} H10 25 1 1 {} {0.102418819808 0.584582150312 0.294366804711} H11 26 1 1 {} {0.374620929016 0.559471495235 0.266709031188} H12 27 1 1 {} {0.357095675271 0.598353625464 0.41768628768} H13 28 1 1 {} {0.471439118106 0.42264757247 0.410026475782} H14 29 1 1 {} {0.449526877495 0.457715245127 0.260624149313} H15 30 1 1 {} {0.341105066704 0.373223933891 0.440784824166} H16 31 1 1 {} {0.412057760984 0.388151473753 0.520354381052} H17 32 1 1 {} {0.31185145019 0.476684849617 0.555521090715} H18 33 1 1 {} {0.359486100622 0.490582449269 0.610467742531} H19 34 1 1 {} {0.492257377485 0.569717461414 0.317558887688} H20 35 1 1 {} {0.475062889219 0.576943045506 0.423284105254} H21 36 1 6 {} {0.647359783213 0.638519327095 0.490269658023} C4 37 1 14 {} {0.607896670897 0.574688964234 0.442497854856} Si6 38 1 14 {} {0.645003886221 0.725188818598 0.445465650038} Si7 39 1 8 {} {0.605559493238 0.582959416832 0.332708308772} O5 40 1 8 {} {0.627540168231 0.499988123561 0.466641014402} O6 41 1 6 {} {0.550905728051 0.580789127192 0.491728269301} C5 42 1 6 {} {0.597420208909 0.775631964842 0.490152917047} C6 43 1 8 {} {0.640663563938 0.714422376023 0.33497015719} O7 44 1 8 {} {0.692624005378 0.766520965763 0.46110622844} O8 45 1 14 {} {0.638160146056 0.422044609205 0.438749372502} Si8 46 1 7 {} {0.592853178773 0.36990142852 0.456907006977} N4 47 1 14 {} {0.573292023577 0.320647955962 0.368384998057} Si9 48 1 14 {} {0.568162382596 0.366589402134 0.563313441788} Si10 49 1 7 {} {0.603391367779 0.385346096311 0.650338715301} N5 50 1 7 {} {0.608318518322 0.257982065443 0.331097847139} N6 51 1 1 {} {0.643218363627 0.640070772245 0.563381908155} H22 52 1 1 {} {0.681415876154 0.619725372628 0.477846642508} H23 53 1 1 {} {0.617902954017 0.625353952852 0.310908798684} H24 54 1 1 {} {0.550972065701 0.570900484646 0.56359287371} H25 55 1 1 {} {0.528945267767 0.543880834776 0.459855621969} H26 56 1 1 {} {0.536360029465 0.630841794842 0.480605920934} H27 57 1 1 {} {0.596665285567 0.826056261044 0.460778237634} H28 58 1 1 {} {0.599476939193 0.781146349369 0.563094356268} H29 59 1 1 {} {0.565347769647 0.751458648851 0.474955851377} H30 60 1 1 {} {0.648722185792 0.751817029381 0.297023013787} H31 61 1 1 {} {0.692964091578 0.801576522312 0.505729261281} H32 62 1 1 {} {0.649723276642 0.417016010731 0.342016463548} H33 63 1 1 {} {0.67735938461 0.4016953441 0.493549539258} H34 64 1 1 {} {0.531518905569 0.288658017354 0.401240712797} H35 65 1 1 {} {0.565124249735 0.36353789078 0.288775857578} H36 66 1 1 {} {0.530997774465 0.415972467132 0.569580922163} H37 67 1 1 {} {0.550967157573 0.297170459682 0.575086682732} H38 68 1 1 {} {0.609963869247 0.433926706139 0.665283261005} H39 69 1 1 {} {0.630400533504 0.356227113532 0.663427863042} H40 70 1 1 {} {0.632950973181 0.26903967739 0.286840595839} H41 71 1 1 {} {0.6178797941 0.220215600409 0.372332804928} 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