#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 {} {0.359988764012 0.551476717268 0.413669864999} C1 1 1 14 {} {0.336702398296 0.524825136849 0.524360422287} Si1 2 1 14 {} {0.421636051785 0.562289837606 0.409253154642} Si2 3 1 8 {} {0.34984865238 0.581571613015 0.600367792785} O1 4 1 8 {} {0.281704404905 0.522940770255 0.51742061824} O2 5 1 6 {} {0.355641723649 0.439611743727 0.559039014491} C2 6 1 6 {} {0.452882438552 0.482103772246 0.39457784644} C3 7 1 8 {} {0.434580081708 0.597298520419 0.508112302757} O3 8 1 8 {} {0.434672618636 0.613648888393 0.326141377212} O4 9 1 14 {} {0.231320536877 0.527557174612 0.558639310676} Si3 10 1 7 {} {0.211608193592 0.449462229965 0.592786933577} N1 11 1 14 {} {0.189155012844 0.441178130943 0.700240937849} Si4 12 1 14 {} {0.212172513839 0.381764094661 0.51775468578} Si5 13 1 7 {} {0.20611320069 0.403189542504 0.4074106712} N2 14 1 7 {} {0.138728564152 0.480226903255 0.720310386765} N3 15 1 1 {} {0.349973844655 0.51572838476 0.361348468845} H1 16 1 1 {} {0.344357077149 0.599830817784 0.396655395384} H2 17 1 1 {} {0.379717636313 0.600004707531 0.590744400358} H3 18 1 1 {} {0.346923986015 0.401041256275 0.509716348363} H4 19 1 1 {} {0.339936635321 0.425822315232 0.622759542565} H5 20 1 1 {} {0.391982781371 0.438406659812 0.569022111057} H6 21 1 1 {} {0.488970906489 0.491696791903 0.391414899349} H7 22 1 1 {} {0.443293675589 0.457814198408 0.331570190537} H8 23 1 1 {} {0.446761578077 0.446521802013 0.449066447793} H9 24 1 1 {} {0.465327890764 0.611908274245 0.514343059959} H10 25 1 1 {} {0.466645098805 0.616505116532 0.314789065341} H11 26 1 1 {} {0.229571758195 0.571771582349 0.638896923826} H12 27 1 1 {} {0.202439564329 0.555707571442 0.486984479956} H13 28 1 1 {} {0.18243929223 0.368098796629 0.714518994919} H14 29 1 1 {} {0.220695335891 0.470379574543 0.766266675666} H15 30 1 1 {} {0.255483406166 0.345276547482 0.523567780279} H16 31 1 1 {} {0.174599255624 0.337080448255 0.544319336863} H17 32 1 1 {} {0.233105756907 0.417619523063 0.371232979372} H18 33 1 1 {} {0.178073958246 0.426352878053 0.38509528906} H19 34 1 1 {} {0.137948436937 0.529813721207 0.735411042286} H20 35 1 1 {} {0.110679674518 0.466485811666 0.686825881143} H21 36 1 6 {} {0.630829052632 0.641205756139 0.349338573662} C4 37 1 14 {} {0.587743179075 0.578686523529 0.386734273601} Si6 38 1 14 {} {0.62518622665 0.729680123091 0.385811413769} Si7 39 1 8 {} {0.537462740094 0.614323922481 0.381321967677} O5 40 1 8 {} {0.588511569759 0.514200617877 0.319637766689} O6 41 1 6 {} {0.598791780898 0.546729717006 0.501628012324} C5 42 1 6 {} {0.643335253508 0.746743572432 0.503034632674} C6 43 1 8 {} {0.570333149424 0.744518992467 0.374271153583} O7 44 1 8 {} {0.653043356755 0.778988668835 0.316003834113} O8 45 1 14 {} {0.582110593164 0.453798870194 0.246730332275} Si8 46 1 7 {} {0.594605317092 0.375738639501 0.289717581632} N4 47 1 14 {} {0.550990893931 0.319399709236 0.313142319949} Si9 48 1 14 {} {0.649150505261 0.350388750923 0.314946119337} Si10 49 1 7 {} {0.690256074568 0.39648513516 0.26385922871} N5 50 1 7 {} {0.526969058755 0.276226400092 0.226333377859} N6 51 1 1 {} {0.664245768557 0.622862259592 0.368118573048} H22 52 1 1 {} {0.630094741483 0.641994731622 0.275662563954} H23 53 1 1 {} {0.539703809831 0.663374960824 0.376377035578} H24 54 1 1 {} {0.630911309902 0.520159269154 0.504303393152} H25 55 1 1 {} {0.572702740119 0.511178199556 0.521954580716} H26 56 1 1 {} {0.599714860372 0.587241711041 0.551231402485} H27 57 1 1 {} {0.638076467337 0.799516375116 0.521211904112} H28 58 1 1 {} {0.678928655522 0.735347468216 0.51241276031} H29 59 1 1 {} {0.624358912269 0.716189377919 0.550793781077} H30 60 1 1 {} {0.559905266419 0.790382808149 0.371423396424} H31 61 1 1 {} {0.670869178711 0.814755850854 0.34110545102} H32 62 1 1 {} {0.53445626991 0.451915083479 0.217993764492} H33 63 1 1 {} {0.611316668705 0.469885863655 0.169209902716} H34 64 1 1 {} {0.570950199214 0.268732971586 0.374411926708} H35 65 1 1 {} {0.51424734008 0.357404408944 0.356463711504} H36 66 1 1 {} {0.658447887745 0.356440433326 0.412456368973} H37 67 1 1 {} {0.652935684258 0.278960598965 0.286891183119} H38 68 1 1 {} {0.703431068055 0.437379024324 0.294139634647} H39 69 1 1 {} {0.693201107598 0.399553775335 0.196486083781} H40 70 1 1 {} {0.504914284535 0.299646302842 0.18533505159} H41 71 1 1 {} {0.544508647702 0.240887522853 0.19242393234} 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