#MD System 2.0 @Title neb0_image02 @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 {} {0.36004354175 0.551408154482 0.413690141322} C1 1 1 14 {} {0.336759523788 0.52482920707 0.524371867735} Si1 2 1 14 {} {0.421664574823 0.562208245745 0.409391606694} Si2 3 1 8 {} {0.349880286617 0.581580073153 0.600280854796} O1 4 1 8 {} {0.28169495085 0.523025550833 0.517211081164} O2 5 1 6 {} {0.355614831158 0.439608814192 0.559036150022} C2 6 1 6 {} {0.45286848951 0.48193629995 0.394737806553} C3 7 1 8 {} {0.434630438727 0.597168365855 0.50825007279} O3 8 1 8 {} {0.434738012568 0.613607983316 0.326338929867} O4 9 1 14 {} {0.231389383992 0.527605613915 0.558497177368} Si3 10 1 7 {} {0.211690570439 0.449545878544 0.592793413976} N1 11 1 14 {} {0.189265362308 0.441209822537 0.70026857739} Si4 12 1 14 {} {0.21216353498 0.381878056597 0.517701467574} Si5 13 1 7 {} {0.206122257974 0.40316028298 0.407288619053} N2 14 1 7 {} {0.138797758484 0.480214146292 0.720463422405} N3 15 1 1 {} {0.350056465835 0.515673668583 0.361356015362} H1 16 1 1 {} {0.344456433538 0.599762020108 0.396645315455} H2 17 1 1 {} {0.379748077572 0.599916727764 0.590771223254} H3 18 1 1 {} {0.346916623506 0.401025578079 0.509696647246} H4 19 1 1 {} {0.339891661855 0.425764115515 0.622727041057} H5 20 1 1 {} {0.391960841941 0.438351627486 0.569047708915} H6 21 1 1 {} {0.488949110459 0.491498981927 0.391664593808} H7 22 1 1 {} {0.443302518552 0.457628317218 0.331749164371} H8 23 1 1 {} {0.446679784449 0.44639386616 0.449237622239} H9 24 1 1 {} {0.465395391357 0.611705269705 0.514409418586} H10 25 1 1 {} {0.466756539681 0.615984858374 0.315130706055} H11 26 1 1 {} {0.229673807375 0.571860248067 0.638781597476} H12 27 1 1 {} {0.202466388088 0.555767013011 0.486899003677} H13 28 1 1 {} {0.182567978369 0.368120621045 0.714504279815} H14 29 1 1 {} {0.220780994551 0.470438605649 0.766315712081} H15 30 1 1 {} {0.255440212542 0.345272932974 0.523485210876} H16 31 1 1 {} {0.174561637855 0.337262112401 0.544324812615} H17 32 1 1 {} {0.233132265448 0.417736043769 0.371261613917} H18 33 1 1 {} {0.178117970321 0.426516709445 0.385076077674} H19 34 1 1 {} {0.138018733706 0.529831092429 0.735380102382} H20 35 1 1 {} {0.110767814014 0.466455463994 0.686901786805} H21 36 1 6 {} {0.630766765574 0.641162026875 0.349327224488} C4 37 1 14 {} {0.587668467226 0.578673932469 0.386668280532} Si6 38 1 14 {} {0.625117474972 0.729668040157 0.385827695075} Si7 39 1 8 {} {0.537440878662 0.614598362179 0.381145510333} O5 40 1 8 {} {0.588328286495 0.514245836367 0.319560788092} O6 41 1 6 {} {0.598671786905 0.546770315911 0.501616407559} C5 42 1 6 {} {0.643329251743 0.746714376113 0.502988359125} C6 43 1 8 {} {0.570278416965 0.744479622817 0.374352323516} O7 44 1 8 {} {0.652903424531 0.779041766492 0.315975725017} O8 45 1 14 {} {0.58209553783 0.45382617438 0.246526423878} Si8 46 1 7 {} {0.594519163582 0.37571569083 0.289628943608} N4 47 1 14 {} {0.551023492447 0.319560725833 0.31330992145} Si9 48 1 14 {} {0.649228646529 0.350477450221 0.314916034905} Si10 49 1 7 {} {0.690173512879 0.39668566292 0.263834888442} N5 50 1 7 {} {0.527052254694 0.276282047857 0.226164025323} N6 51 1 1 {} {0.664168192137 0.622832176149 0.368091880026} H22 52 1 1 {} {0.630012013994 0.641984320417 0.275679362946} H23 53 1 1 {} {0.53988533485 0.663650838133 0.376508653615} H24 54 1 1 {} {0.630792808051 0.520214829635 0.504441874938} H25 55 1 1 {} {0.572570069562 0.511255561142 0.522011938254} H26 56 1 1 {} {0.599591389843 0.587333589078 0.551166693753} H27 57 1 1 {} {0.638073812364 0.799487443607 0.521189525945} H28 58 1 1 {} {0.678923916351 0.735307029157 0.512362168413} H29 59 1 1 {} {0.624343974565 0.71617592813 0.55076249175} H30 60 1 1 {} {0.559849537399 0.79033613905 0.371451498832} H31 61 1 1 {} {0.670812633847 0.814720690686 0.341054390965} H32 62 1 1 {} {0.534426623327 0.451830951973 0.217863961434} H33 63 1 1 {} {0.611316683346 0.469941339119 0.16910915193} H34 64 1 1 {} {0.570913770642 0.268712122166 0.374328840973} H35 65 1 1 {} {0.514164908645 0.357319985504 0.356460792404} H36 66 1 1 {} {0.658434180962 0.356557280575 0.412482259742} H37 67 1 1 {} {0.653005387065 0.279056589402 0.286859767958} H38 68 1 1 {} {0.703529123102 0.437429413238 0.294122647195} H39 69 1 1 {} {0.693191263612 0.399582178911 0.196470329897} H40 70 1 1 {} {0.504837623811 0.299525771031 0.185309993894} H41 71 1 1 {} {0.544516944768 0.24082769016 0.192294027816} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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