#MD System 2.0 @Title neb0_image01 @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 {} {0.202554308964 0.52912616244 0.306059737315} C1 1 1 14 {} {0.25632599377 0.492226937608 0.263926417398} Si1 2 1 14 {} {0.155953837334 0.537776203404 0.225015269443} Si2 3 1 8 {} {0.269222594269 0.526222362529 0.166651598195} O1 4 1 8 {} {0.296094428177 0.512671843991 0.335546803178} O2 5 1 6 {} {0.25455871349 0.399039904584 0.256648991684} C2 6 1 6 {} {0.124266080875 0.457909742222 0.206784833608} C3 7 1 8 {} {0.180359041567 0.563794647461 0.130651428527} O3 8 1 8 {} {0.119986653013 0.598914487013 0.250893750895} O4 9 1 14 {} {0.347809918116 0.541729211752 0.339794152243} Si3 10 1 7 {} {0.382442706419 0.478020644999 0.381504391244} N1 11 1 14 {} {0.43704429439 0.476984831087 0.340526390012} Si4 12 1 14 {} {0.362096922402 0.423862463042 0.464917239373} Si5 13 1 7 {} {0.333352207527 0.462438707677 0.549577282733} N2 14 1 7 {} {0.458968712091 0.557133384116 0.346052403144} N3 15 1 1 {} {0.190908937515 0.500206944753 0.364307839614} H1 16 1 1 {} {0.210276341681 0.580113846481 0.330149011865} H2 17 1 1 {} {0.243428514914 0.545339307206 0.135332582767} H3 18 1 1 {} {0.249469304298 0.37644425251 0.322557579825} H4 19 1 1 {} {0.286299075621 0.380243891408 0.229945727865} H5 20 1 1 {} {0.227813357873 0.382079124465 0.212145908776} H6 21 1 1 {} {0.0976258483838 0.463875969534 0.156693495256} H7 22 1 1 {} {0.108858548668 0.439991546653 0.269153940025} H8 23 1 1 {} {0.146968024609 0.418248491024 0.183240538741} H9 24 1 1 {} {0.161983125291 0.58640248152 0.087240574963} H10 25 1 1 {} {0.092185000366 0.587038547979 0.277253259894} H11 26 1 1 {} {0.364233107486 0.561234747257 0.249566755147} H12 27 1 1 {} {0.346830615395 0.600427987855 0.401146067298} H13 28 1 1 {} {0.46114105661 0.42483007823 0.393608675353} H14 29 1 1 {} {0.439248726711 0.459536740279 0.243089651703} H15 30 1 1 {} {0.33076929305 0.375305453205 0.424460385911} H16 31 1 1 {} {0.401507665988 0.390302739469 0.503643100238} H17 32 1 1 {} {0.301535114376 0.478876303542 0.539148352316} H18 33 1 1 {} {0.349367778658 0.492231639788 0.593715947793} H19 34 1 1 {} {0.481768581218 0.571517824046 0.300599952974} H20 35 1 1 {} {0.464630919455 0.578937784855 0.407609024925} H21 36 1 6 {} {0.657690914525 0.636447862991 0.506947055823} C4 37 1 14 {} {0.618071770987 0.572757975161 0.458744675921} Si6 38 1 14 {} {0.655258914826 0.722942961527 0.46215474247} Si7 39 1 8 {} {0.615864478044 0.581231143573 0.349103020654} O5 40 1 8 {} {0.637586063422 0.497611338534 0.4831669096} O6 41 1 6 {} {0.561175191192 0.579012696395 0.507921501288} C5 42 1 6 {} {0.607827528056 0.773630352074 0.507248820422} C6 43 1 8 {} {0.65021840721 0.712685928832 0.351880794789} O7 44 1 8 {} {0.702993731014 0.763641249622 0.478072319096} O8 45 1 14 {} {0.648363011538 0.419853455201 0.45495200814} Si8 46 1 7 {} {0.603192597383 0.368024537538 0.474233834303} N4 47 1 14 {} {0.583688827281 0.31837306557 0.385329539259} Si9 48 1 14 {} {0.578352912533 0.364907924707 0.578985182731} Si10 49 1 7 {} {0.614093729104 0.383724729116 0.667020129687} N5 50 1 7 {} {0.618631644632 0.255840617384 0.348067640872} N6 51 1 1 {} {0.6534556947 0.637925066478 0.580038648257} H22 52 1 1 {} {0.69168719194 0.617220689549 0.495049170675} H23 53 1 1 {} {0.628254452655 0.623631736305 0.327515400463} H24 54 1 1 {} {0.561623490041 0.568840358142 0.579970028324} H25 55 1 1 {} {0.539136478884 0.542162362035 0.475830960317} H26 56 1 1 {} {0.546833227455 0.629072144314 0.497276714407} H27 57 1 1 {} {0.607093099435 0.8239947236 0.477285729279} H28 58 1 1 {} {0.609690007865 0.7791623827 0.580413199809} H29 59 1 1 {} {0.575807443556 0.74918678838 0.491308877739} H30 60 1 1 {} {0.658834035925 0.749891931756 0.313854478913} H31 61 1 1 {} {0.703381328298 0.799459122574 0.522360313606} H32 62 1 1 {} {0.660024942927 0.415104370456 0.358460122732} H33 63 1 1 {} {0.687517347709 0.399953985546 0.509984378015} H34 64 1 1 {} {0.541957728612 0.286414172843 0.417890495542} H35 65 1 1 {} {0.5754873357 0.361636042593 0.305449788076} H36 66 1 1 {} {0.54150222221 0.414645443724 0.586176280582} H37 67 1 1 {} {0.561144723218 0.295657092476 0.592181462118} H38 68 1 1 {} {0.62039895705 0.431712396618 0.682435611516} H39 69 1 1 {} {0.640718541275 0.354263583148 0.680017844776} H40 70 1 1 {} {0.643766901078 0.267176162252 0.303606185258} H41 71 1 1 {} {0.628467620532 0.218469273323 0.389715113761} 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