#MD System 2.0 @Title neb0_image04 @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 {} {0.210935092191 0.527754261785 0.318550945058} C1 1 1 14 {} {0.264559644903 0.490150857162 0.276854931237} Si1 2 1 14 {} {0.164254352809 0.536123931368 0.237899577849} Si2 3 1 8 {} {0.27677916932 0.521245828916 0.177688779712} O1 4 1 8 {} {0.304362859288 0.511631303862 0.347668537658} O2 5 1 6 {} {0.262640939736 0.397000479547 0.270801552802} C2 6 1 6 {} {0.132583725422 0.456468471751 0.220471556405} C3 7 1 8 {} {0.188466193578 0.562228842687 0.143757268949} O3 8 1 8 {} {0.128973850649 0.596571784405 0.266380217769} O4 9 1 14 {} {0.355867371013 0.540436786841 0.353610418289} Si3 10 1 7 {} {0.390173213763 0.476722167663 0.394706279606} N1 11 1 14 {} {0.443398961674 0.474382086255 0.349338246395} Si4 12 1 14 {} {0.370364565656 0.422465387789 0.478173271922} Si5 13 1 7 {} {0.34097731163 0.460184804682 0.563530895533} N2 14 1 7 {} {0.46137116798 0.557046615106 0.349247501111} N3 15 1 1 {} {0.199260572619 0.499282575412 0.377037494853} H1 16 1 1 {} {0.219010722592 0.578574840636 0.34239960603} H2 17 1 1 {} {0.251732258528 0.543791313587 0.147923527033} H3 18 1 1 {} {0.257316313223 0.373650227098 0.336320149086} H4 19 1 1 {} {0.294316827058 0.377817318322 0.244040266507} H5 20 1 1 {} {0.23588287086 0.380464805524 0.225748308569} H6 21 1 1 {} {0.106099969243 0.463097423693 0.170385920394} H7 22 1 1 {} {0.1168825456 0.439151003926 0.282769427443} H8 23 1 1 {} {0.154708092434 0.416244246594 0.196953917777} H9 24 1 1 {} {0.169721754944 0.58552833472 0.100619279018} H10 25 1 1 {} {0.100341968381 0.5837617639 0.291839392193} H11 26 1 1 {} {0.372476537192 0.560264260019 0.264190487186} H12 27 1 1 {} {0.354951406587 0.59888886403 0.414965716197} H13 28 1 1 {} {0.469271104105 0.424933206454 0.404611314282} H14 29 1 1 {} {0.446240529858 0.453854189008 0.254189151516} H15 30 1 1 {} {0.339044761839 0.373206170884 0.437458633916} H16 31 1 1 {} {0.410162401087 0.388396835916 0.516534788881} H17 32 1 1 {} {0.309562456635 0.476714971688 0.551908654685} H18 33 1 1 {} {0.356927806311 0.491217908458 0.607147657928} H19 34 1 1 {} {0.489083182128 0.567219264192 0.31168451725} H20 35 1 1 {} {0.464794215378 0.578592569135 0.410350779795} H21 36 1 6 {} {0.651277938839 0.639199224488 0.493437774565} C4 37 1 14 {} {0.611940326185 0.575305922288 0.448744439282} Si6 38 1 14 {} {0.647451297628 0.725423581774 0.448152118548} Si7 39 1 8 {} {0.60548583727 0.583655655419 0.339077477748} O5 40 1 8 {} {0.631318366883 0.500073687257 0.470468136372} O6 41 1 6 {} {0.556660537406 0.581044912062 0.503421904918} C5 42 1 6 {} {0.599482996234 0.775573697859 0.492895343249} C6 43 1 8 {} {0.643921660217 0.713702045965 0.337589426827} O7 44 1 8 {} {0.694618200003 0.76775326792 0.464016307259} O8 45 1 14 {} {0.640582757031 0.421721053923 0.442848870048} Si8 46 1 7 {} {0.594871009546 0.370039058855 0.460385295075} N4 47 1 14 {} {0.5752995089 0.3207216679 0.371617690927} Si9 48 1 14 {} {0.570279724605 0.366001260772 0.567017105622} Si10 49 1 7 {} {0.605384522425 0.384806982393 0.653666332101} N5 50 1 7 {} {0.610124264948 0.257896639472 0.333580076157} N6 51 1 1 {} {0.646062866535 0.639934073792 0.56625889757} H22 52 1 1 {} {0.685499811415 0.621377148536 0.481242458535} H23 53 1 1 {} {0.619204796517 0.624087166922 0.314600682599} H24 54 1 1 {} {0.556148849818 0.573697107779 0.575922686687} H25 55 1 1 {} {0.5381208238 0.539834673354 0.472099453575} H26 56 1 1 {} {0.540075428826 0.628815920586 0.487372768661} H27 57 1 1 {} {0.59870190804 0.826080277592 0.463639302835} H28 58 1 1 {} {0.601615154889 0.781199965823 0.565930115456} H29 59 1 1 {} {0.567211484484 0.75171053167 0.478235825903} H30 60 1 1 {} {0.65093846346 0.751421836029 0.299586301071} H31 61 1 1 {} {0.695004929605 0.801753789278 0.50915546588} H32 62 1 1 {} {0.651859609666 0.416957647269 0.345852169021} H33 63 1 1 {} {0.679763584599 0.40126358487 0.497702190934} H34 64 1 1 {} {0.533601659446 0.288831936652 0.404222237822} H35 65 1 1 {} {0.567068906409 0.363459384743 0.291818987037} H36 66 1 1 {} {0.53273637386 0.414775879724 0.574148380848} H37 67 1 1 {} {0.553450260207 0.296122547265 0.578296324525} H38 68 1 1 {} {0.611933548362 0.433867338242 0.668175636728} H39 69 1 1 {} {0.632619773652 0.356138316262 0.667235792201} H40 70 1 1 {} {0.63454696369 0.268602059637 0.28928791199} H41 71 1 1 {} {0.619316889509 0.219387313678 0.374347311955} 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