#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 {} {0.360095741797 0.551380075408 0.413667223268} C1 1 1 14 {} {0.336685446713 0.524782658873 0.524304433392} Si1 2 1 14 {} {0.421699059622 0.562124914056 0.409473181561} Si2 3 1 8 {} {0.349903573566 0.581603770114 0.600292354062} O1 4 1 8 {} {0.281771143355 0.523065035932 0.517084062673} O2 5 1 6 {} {0.35561964102 0.439544997366 0.559057621968} C2 6 1 6 {} {0.452867577614 0.481811766342 0.394858143379} C3 7 1 8 {} {0.434666377134 0.597044587408 0.508395481783} O3 8 1 8 {} {0.434842614574 0.613506110019 0.32644441289} O4 9 1 14 {} {0.231368774971 0.527599752282 0.558502772741} Si3 10 1 7 {} {0.211743462906 0.449635643895 0.592762610894} N1 11 1 14 {} {0.189322314064 0.441270742566 0.700210274168} Si4 12 1 14 {} {0.212154435275 0.381959383276 0.517669386918} Si5 13 1 7 {} {0.206129363941 0.403199991782 0.407269520634} N2 14 1 7 {} {0.138879519497 0.480193665519 0.720503173307} N3 15 1 1 {} {0.350100439887 0.515624238611 0.361355478451} H1 16 1 1 {} {0.344496225055 0.599746425194 0.396624584165} H2 17 1 1 {} {0.379779148479 0.599877536693 0.59079827651} H3 18 1 1 {} {0.346903564696 0.40102792594 0.509674946754} H4 19 1 1 {} {0.339859497129 0.425740734644 0.622703897378} H5 20 1 1 {} {0.391933963563 0.438317421824 0.569081866758} H6 21 1 1 {} {0.488949485062 0.491348342443 0.391841036319} H7 22 1 1 {} {0.443301904336 0.457515183279 0.331848819333} H8 23 1 1 {} {0.446629464927 0.446299518197 0.449382545791} H9 24 1 1 {} {0.465425075495 0.611574647761 0.514467204048} H10 25 1 1 {} {0.466857424793 0.615752480064 0.315288690439} H11 26 1 1 {} {0.229738607646 0.571944073116 0.638714348367} H12 27 1 1 {} {0.202475761624 0.555808552069 0.486845048163} H13 28 1 1 {} {0.182659678918 0.368135394676 0.714506995511} H14 29 1 1 {} {0.22085888584 0.470477690654 0.766333846668} H15 30 1 1 {} {0.255424394398 0.345260182378 0.523456717021} H16 31 1 1 {} {0.174525609189 0.337371433345 0.544318269158} H17 32 1 1 {} {0.233144691241 0.4177990435 0.371280330486} H18 33 1 1 {} {0.178143440853 0.426618190373 0.385063935639} H19 34 1 1 {} {0.138074992347 0.529822372057 0.735370746175} H20 35 1 1 {} {0.11083925328 0.466423165906 0.68696608715} H21 36 1 6 {} {0.630732779553 0.641144775316 0.349320246219} C4 37 1 14 {} {0.587596202059 0.578724381608 0.386660116064} Si6 38 1 14 {} {0.625093719741 0.729660599376 0.385825968459} Si7 39 1 8 {} {0.537436873904 0.614724973504 0.381066180223} O5 40 1 8 {} {0.588219210047 0.514234834041 0.319454196224} O6 41 1 6 {} {0.598583292506 0.546803438115 0.501604141991} C5 42 1 6 {} {0.643321267075 0.746696359187 0.502972740709} C6 43 1 8 {} {0.570243286124 0.74447246813 0.374432053026} O7 44 1 8 {} {0.65282243993 0.779069480887 0.315944817771} O8 45 1 14 {} {0.582038979567 0.453876169451 0.246492653603} Si8 46 1 7 {} {0.594643000515 0.375802148772 0.289629448941} N4 47 1 14 {} {0.55094846193 0.31941823387 0.31312019118} Si9 48 1 14 {} {0.649141184528 0.350544228747 0.314981565973} Si10 49 1 7 {} {0.6901454782 0.396790998428 0.263822779409} N5 50 1 7 {} {0.527073799585 0.276292934455 0.226013129742} N6 51 1 1 {} {0.664137178632 0.62280611794 0.368070232073} H22 52 1 1 {} {0.629965393905 0.641977731747 0.275666912247} H23 53 1 1 {} {0.539938326561 0.663787887636 0.376552082751} H24 54 1 1 {} {0.630697992255 0.520249510411 0.504496129109} H25 55 1 1 {} {0.572479610901 0.511313864017 0.522035927252} H26 56 1 1 {} {0.599494574282 0.587404703423 0.551101441177} H27 57 1 1 {} {0.638074449456 0.799474971119 0.521173658149} H28 58 1 1 {} {0.678914382171 0.735278362519 0.512325810102} H29 59 1 1 {} {0.624339991359 0.716161152104 0.550755347806} H30 60 1 1 {} {0.559800580874 0.790323191268 0.371466151193} H31 61 1 1 {} {0.670773568563 0.814696387639 0.341023003688} H32 62 1 1 {} {0.534426528859 0.451774938303 0.217733845599} H33 63 1 1 {} {0.611303547042 0.46997194014 0.169098489431} H34 64 1 1 {} {0.5709133574 0.268720958372 0.374326363642} H35 65 1 1 {} {0.514131650042 0.357283815392 0.356448115666} H36 66 1 1 {} {0.658428330168 0.35663554021 0.412454379188} H37 67 1 1 {} {0.653045743829 0.279110398687 0.286840062287} H38 68 1 1 {} {0.703595867803 0.43752244004 0.294141486888} H39 69 1 1 {} {0.693208678864 0.399640354824 0.196349502691} H40 70 1 1 {} {0.50484778661 0.299417557451 0.185395084667} H41 71 1 1 {} {0.54449425809 0.24092078216 0.192339079804} 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