#MD System 2.0 @Title neb0_image07 @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 {} {0.218274826493 0.52630527927 0.331182086081} C1 1 1 14 {} {0.272211831927 0.489324780838 0.289398112231} Si1 2 1 14 {} {0.171595542231 0.534790041807 0.25020853989} Si2 3 1 8 {} {0.284788134006 0.522302188903 0.191506243565} O1 4 1 8 {} {0.312090960842 0.509723727845 0.36030193505} O2 5 1 6 {} {0.270257036927 0.396126991751 0.282391669054} C2 6 1 6 {} {0.140054690544 0.455072364138 0.232463515796} C3 7 1 8 {} {0.196082484445 0.560744181319 0.155964314444} O3 8 1 8 {} {0.136228506169 0.595863772517 0.277233414696} O4 9 1 14 {} {0.363594147681 0.538605554106 0.365290930479} Si3 10 1 7 {} {0.397865350618 0.475229570785 0.407225932177} N1 11 1 14 {} {0.451754745174 0.473329346711 0.36420436269} Si4 12 1 14 {} {0.37787866622 0.421186991741 0.49019108099} Si5 13 1 7 {} {0.348832043807 0.45916409186 0.575510791329} N2 14 1 7 {} {0.470638386165 0.554881731017 0.36573938543} N3 15 1 1 {} {0.206674128784 0.497683842184 0.389667421401} H1 16 1 1 {} {0.226144724456 0.577133799687 0.355355719065} H2 17 1 1 {} {0.259290159196 0.542512323403 0.160797502091} H3 18 1 1 {} {0.265095123848 0.373111704932 0.348210475514} H4 19 1 1 {} {0.30197371357 0.377080172986 0.255630298606} H5 20 1 1 {} {0.243483354907 0.379041886647 0.237688761533} H6 21 1 1 {} {0.113539837434 0.46126964706 0.182417167658} H7 22 1 1 {} {0.124515763935 0.437346646327 0.294655832941} H8 23 1 1 {} {0.162455180283 0.415254821306 0.208866176834} H9 24 1 1 {} {0.177563588458 0.583740206794 0.112698010988} H10 25 1 1 {} {0.107842349301 0.583484418837 0.303269735477} H11 26 1 1 {} {0.380009149004 0.5584585937 0.275522090695} H12 27 1 1 {} {0.362589974749 0.597327454012 0.426522971967} H13 28 1 1 {} {0.47686036045 0.422586846708 0.418171712585} H14 29 1 1 {} {0.454812990774 0.455356456016 0.267777263528} H15 30 1 1 {} {0.346544296575 0.372162581137 0.449653942772} H16 31 1 1 {} {0.417524652737 0.387166646031 0.529058044659} H17 32 1 1 {} {0.317242718942 0.475704499154 0.564306085133} H18 33 1 1 {} {0.364896214116 0.489640587514 0.619347728165} H19 34 1 1 {} {0.496580733011 0.567882311147 0.325565864788} H20 35 1 1 {} {0.475451664705 0.576561767899 0.426445272551} H21 36 1 6 {} {0.642691610182 0.639948226324 0.481427015183} C4 37 1 14 {} {0.603745483913 0.576256571433 0.434526047998} Si6 38 1 14 {} {0.639612404889 0.726317209233 0.436513705373} Si7 39 1 8 {} {0.599611638018 0.584221554095 0.324907900038} O5 40 1 8 {} {0.622355712358 0.500854522248 0.457776736047} O6 41 1 6 {} {0.547931909642 0.582866137747 0.487276766802} C5 42 1 6 {} {0.591984109543 0.776610445573 0.481360215704} C6 43 1 8 {} {0.635220567276 0.715371905403 0.326111127029} O7 44 1 8 {} {0.687179641663 0.7676690448 0.452216289858} O8 45 1 14 {} {0.632774186276 0.422917782354 0.429937698673} Si8 46 1 7 {} {0.587407286493 0.370884173229 0.448138676532} N4 47 1 14 {} {0.567888596215 0.321574050743 0.359494502635} Si9 48 1 14 {} {0.562703333504 0.367507099196 0.554529992475} Si10 49 1 7 {} {0.598100054989 0.386338278503 0.641250681908} N5 50 1 7 {} {0.602803354051 0.258832237597 0.322027412914} N6 51 1 1 {} {0.637829865275 0.641003318404 0.554313201986} H22 52 1 1 {} {0.67659862932 0.621071842602 0.469084026113} H23 53 1 1 {} {0.61226742386 0.626129092681 0.302239821958} H24 54 1 1 {} {0.546926061847 0.572938013659 0.559229735369} H25 55 1 1 {} {0.528539018547 0.543053480756 0.45556861627} H26 56 1 1 {} {0.531777940474 0.631240617223 0.472979819438} H27 57 1 1 {} {0.591231054502 0.827035316503 0.451935911774} H28 58 1 1 {} {0.594026512328 0.782172154567 0.554296090793} H29 59 1 1 {} {0.559899257858 0.752519473483 0.466166297554} H30 60 1 1 {} {0.643261563726 0.752761950761 0.288171459832} H31 61 1 1 {} {0.687519354193 0.802642904581 0.496898524034} H32 62 1 1 {} {0.644260163265 0.418065434721 0.333258739642} H33 63 1 1 {} {0.671953751314 0.402772212343 0.484809558006} H34 64 1 1 {} {0.52613856326 0.289709810459 0.392474959443} H35 65 1 1 {} {0.559700374635 0.364510746869 0.280156419871} H36 66 1 1 {} {0.52559169854 0.417004131943 0.561338060991} H37 67 1 1 {} {0.545532881379 0.298112496234 0.566363762551} H38 68 1 1 {} {0.604478312197 0.434851103613 0.656538539313} H39 69 1 1 {} {0.624990546635 0.357230662804 0.65471103295} H40 70 1 1 {} {0.627498931546 0.270049471388 0.27792731999} H41 71 1 1 {} {0.612408028607 0.221101643709 0.363411064174} 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