#MD System 2.0 @Title neb0_image03 @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 {} {0.207677067364 0.528239148134 0.314025597068} C1 1 1 14 {} {0.261599642634 0.491253225482 0.272260489526} Si1 2 1 14 {} {0.160996449606 0.536714772218 0.233006669226} Si2 3 1 8 {} {0.274173668645 0.524287949873 0.174414957294} O1 4 1 8 {} {0.301631246005 0.511512693343 0.343116779675} O2 5 1 6 {} {0.259635180845 0.398085379048 0.265206834204} C2 6 1 6 {} {0.129439845991 0.457016492922 0.215284589889} C3 7 1 8 {} {0.185517479683 0.562543837509 0.138751317327} O3 8 1 8 {} {0.125671791793 0.597858737363 0.260014874684} O4 9 1 14 {} {0.353097675814 0.540476920658 0.348347369655} Si3 10 1 7 {} {0.387821699845 0.477551327499 0.38993565649} N1 11 1 14 {} {0.442172890583 0.475899991538 0.348881797534} Si4 12 1 14 {} {0.367442091167 0.423340275108 0.472690417749} Si5 13 1 7 {} {0.338302916352 0.461123977328 0.558113452477} N2 14 1 7 {} {0.464037959032 0.555642586458 0.354920077271} N3 15 1 1 {} {0.196077680134 0.499620857874 0.372494070581} H1 16 1 1 {} {0.215538034479 0.579069515682 0.338176113774} H2 17 1 1 {} {0.248685053523 0.544476824339 0.143634285613} H3 18 1 1 {} {0.254486295737 0.375068389927 0.331017393519} H4 19 1 1 {} {0.291351657243 0.379028281643 0.238459452742} H5 20 1 1 {} {0.232869130638 0.380970214996 0.220516882905} H6 21 1 1 {} {0.102928214186 0.463226325585 0.16522697991} H7 22 1 1 {} {0.113901126838 0.439278765493 0.277477801643} H8 23 1 1 {} {0.151849793064 0.417208914129 0.191677010756} H9 24 1 1 {} {0.166994404325 0.58564738771 0.0955910620678} H10 25 1 1 {} {0.0972729958713 0.58550547426 0.286035826618} H11 26 1 1 {} {0.36946297834 0.560436324197 0.258488141822} H12 27 1 1 {} {0.351941074185 0.599294902811 0.409340975038} H13 28 1 1 {} {0.466262095205 0.423622769196 0.401585483194} H14 29 1 1 {} {0.444352599741 0.458604598872 0.252218566519} H15 30 1 1 {} {0.335967294104 0.374186059222 0.432424823884} H16 31 1 1 {} {0.40690768011 0.389078327097 0.511974159216} H17 32 1 1 {} {0.306688430558 0.477632212419 0.54716837949} H18 33 1 1 {} {0.354292413738 0.491552279247 0.602092964312} H19 34 1 1 {} {0.487081050834 0.570615626035 0.309302731478} H20 35 1 1 {} {0.469879181394 0.577880361424 0.414779632772} H21 36 1 6 {} {0.652524373181 0.63759639503 0.498641695623} C4 37 1 14 {} {0.613074022439 0.57377646609 0.450756684543} Si6 38 1 14 {} {0.650174231604 0.724238039699 0.45378777876} Si7 39 1 8 {} {0.610648252375 0.582059593754 0.341064259376} O5 40 1 8 {} {0.632787217922 0.499050898065 0.475029794763} O6 41 1 6 {} {0.5560525956 0.579915991755 0.500089105618} C5 42 1 6 {} {0.602586317283 0.774696663601 0.498520238872} C6 43 1 8 {} {0.645946803155 0.71345576707 0.343285205497} O7 44 1 8 {} {0.697768466286 0.765610967753 0.469460889536} O8 45 1 14 {} {0.643325299255 0.421149276619 0.447155148386} Si8 46 1 7 {} {0.598011617449 0.368948798686 0.465315943379} N4 47 1 14 {} {0.578447195993 0.319694760641 0.376733613317} Si9 48 1 14 {} {0.573291836564 0.36561450173 0.571624623592} Si10 49 1 7 {} {0.608529841092 0.384389741187 0.658649683997} N5 50 1 7 {} {0.613441894645 0.257031177834 0.339384268634} N6 51 1 1 {} {0.648390407556 0.639126722581 0.571722941066} H22 52 1 1 {} {0.68658854529 0.618852111247 0.486183567315} H23 53 1 1 {} {0.623043144117 0.624382827613 0.319242627465} H24 54 1 1 {} {0.556114150258 0.569999665228 0.572198940734} H25 55 1 1 {} {0.534130488935 0.542861386157 0.468227526515} H26 56 1 1 {} {0.541537913239 0.629817858382 0.489019192248} H27 57 1 1 {} {0.601809712414 0.825117615618 0.469102748635} H28 58 1 1 {} {0.604620245737 0.780223973822 0.571469773207} H29 59 1 1 {} {0.570508581713 0.750549414208 0.483326422474} H30 60 1 1 {} {0.653886786635 0.750884288031 0.305314179825} H31 61 1 1 {} {0.698114219697 0.800653500311 0.514070651592} H32 62 1 1 {} {0.654867507909 0.41608554066 0.350383367676} H33 63 1 1 {} {0.682527736387 0.400769154588 0.501944544121} H34 64 1 1 {} {0.5366639321 0.287758686468 0.409587719295} H35 65 1 1 {} {0.570265904865 0.36259192709 0.297158153792} H36 66 1 1 {} {0.536118699511 0.41500578239 0.578017294453} H37 67 1 1 {} {0.556144846034 0.29616096557 0.583473579302} H38 68 1 1 {} {0.615111346512 0.433007156043 0.673619641542} H39 69 1 1 {} {0.635576373883 0.355300709898 0.671835102557} H40 70 1 1 {} {0.638056203203 0.268109192922 0.295148792562} H41 71 1 1 {} {0.622984361428 0.219263683849 0.380608797846} 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