#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 {} {0.205084225298 0.528663551664 0.310259812434} C1 1 1 14 {} {0.258859020537 0.491684275142 0.268006293181} Si1 2 1 14 {} {0.158430732257 0.537306856694 0.229049793364} Si2 3 1 8 {} {0.271735049207 0.525406948894 0.170449749514} O1 4 1 8 {} {0.298592648377 0.511699761561 0.338955303504} O2 5 1 6 {} {0.257077578813 0.398410734482 0.260812559119} C2 6 1 6 {} {0.126875719354 0.457506930615 0.210969600716} C3 7 1 8 {} {0.182953124776 0.56320796904 0.134591617848} O3 8 1 8 {} {0.122947146212 0.598359618566 0.25539813785} O4 9 1 14 {} {0.350490065848 0.541185637251 0.344022331353} Si3 10 1 7 {} {0.385278199278 0.477610779703 0.385583358741} N1 11 1 14 {} {0.439750091577 0.476564286381 0.344665558754} Si4 12 1 14 {} {0.364778899839 0.423513713164 0.469218641802} Si5 13 1 7 {} {0.335794553011 0.461834728566 0.553771375501} N2 14 1 7 {} {0.461714243943 0.556491713473 0.351104958807} N3 15 1 1 {} {0.193454357609 0.499769588861 0.368420484578} H1 16 1 1 {} {0.212920878317 0.579644106679 0.333989312419} H2 17 1 1 {} {0.245944781211 0.544959108438 0.139393774409} H3 18 1 1 {} {0.252010322859 0.37582765475 0.326784528901} H4 19 1 1 {} {0.288832192699 0.379513683525 0.234145244912} H5 20 1 1 {} {0.230336834429 0.381437928744 0.216295609385} H6 21 1 1 {} {0.100248557596 0.463566832144 0.16094724129} H7 22 1 1 {} {0.111424769663 0.439755156584 0.273346833549} H8 23 1 1 {} {0.149370502546 0.417649071788 0.187405887237} H9 24 1 1 {} {0.164614231581 0.585982121768 0.0914350374436} H10 25 1 1 {} {0.0946962467737 0.586155888895 0.281601499256} H11 26 1 1 {} {0.366885835874 0.560877228543 0.253510286758} H12 27 1 1 {} {0.349339450778 0.599835344059 0.405182384926} H13 28 1 1 {} {0.463733091385 0.42408606544 0.397914784671} H14 29 1 1 {} {0.441750494449 0.459273836258 0.247915395571} H15 30 1 1 {} {0.33325324019 0.374638672778 0.428314352817} H16 31 1 1 {} {0.404103491188 0.389714843106 0.507633545445} H17 32 1 1 {} {0.303962900648 0.478286940075 0.543189060784} H18 33 1 1 {} {0.351872244383 0.491713954154 0.597636765579} H19 34 1 1 {} {0.484438126341 0.571115386951 0.304910879574} H20 35 1 1 {} {0.467651915616 0.578532065982 0.411879658352} H21 36 1 6 {} {0.65513944784 0.637459902446 0.50294731337} C4 37 1 14 {} {0.61556155885 0.573139825531 0.454655212497} Si6 38 1 14 {} {0.652690618611 0.723700816747 0.458090336984} Si7 39 1 8 {} {0.613619217776 0.581391796058 0.344653876638} O5 40 1 8 {} {0.635123786679 0.498358362564 0.479216833538} O6 41 1 6 {} {0.558422709224 0.579323803312 0.503728702159} C5 42 1 6 {} {0.605265941409 0.774115494752 0.502733670119} C6 43 1 8 {} {0.648480219057 0.713037320036 0.347322391693} O7 44 1 8 {} {0.700263832014 0.764484494441 0.473668340866} O8 45 1 14 {} {0.645661247276 0.420697307251 0.451885173945} Si8 46 1 7 {} {0.600390124528 0.368144937346 0.468833138454} N4 47 1 14 {} {0.581647957289 0.31904089287 0.382231548424} Si9 48 1 14 {} {0.575411234497 0.365420284269 0.575511423763} Si10 49 1 7 {} {0.61234563008 0.384870492537 0.665200758067} N5 50 1 7 {} {0.615681074566 0.256937780109 0.344698397084} N6 51 1 1 {} {0.650981506445 0.638667483589 0.575997677315} H22 52 1 1 {} {0.688990045558 0.61794915365 0.490627790729} H23 53 1 1 {} {0.625714197296 0.624133694294 0.323474284625} H24 54 1 1 {} {0.55878959633 0.569280462378 0.575722424073} H25 55 1 1 {} {0.536183184248 0.542633651708 0.471867137133} H26 56 1 1 {} {0.544043667285 0.629582626196 0.493087143329} H27 57 1 1 {} {0.604387261384 0.824452773847 0.473280836637} H28 58 1 1 {} {0.607238412789 0.779551398258 0.575623317253} H29 59 1 1 {} {0.5732634056 0.750003297034 0.487398387659} H30 60 1 1 {} {0.656420578395 0.750382170189 0.309754828217} H31 61 1 1 {} {0.700770874011 0.800315478675 0.518613454452} H32 62 1 1 {} {0.657598535918 0.415563738668 0.353670187039} H33 63 1 1 {} {0.685125418553 0.400081811022 0.50611266208} H34 64 1 1 {} {0.539146968581 0.287014335157 0.413542211768} H35 65 1 1 {} {0.572690769476 0.362289888509 0.300863355301} H36 66 1 1 {} {0.538924004405 0.414730668031 0.581776958086} H37 67 1 1 {} {0.55872586774 0.295803536303 0.587601107144} H38 68 1 1 {} {0.617641702361 0.43034732717 0.677081718209} H39 69 1 1 {} {0.637259766619 0.355915424716 0.675253285696} H40 70 1 1 {} {0.641194083359 0.268037945437 0.298635742826} H41 71 1 1 {} {0.625677613424 0.218659580215 0.385734783376} 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