#MD System 2.0 @Title neb0_image08 @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 {} {0.23380402331 0.523660526225 0.356471709484} C1 1 1 14 {} {0.286028344834 0.485512514209 0.31471560159} Si1 2 1 14 {} {0.188384167023 0.531995031101 0.275951541852} Si2 3 1 8 {} {0.299468116745 0.512610198951 0.214138578576} O1 4 1 8 {} {0.319868131273 0.515962888641 0.391565364137} O2 5 1 6 {} {0.286647957101 0.392165962613 0.31031478475} C2 6 1 6 {} {0.15662194578 0.452454013794 0.258467861888} C3 7 1 8 {} {0.213129920576 0.562524004632 0.184541875812} O3 8 1 8 {} {0.152740429721 0.589895276553 0.307870020589} O4 9 1 14 {} {0.37349653889 0.535700628977 0.384273929455} Si3 10 1 7 {} {0.392159880969 0.453175539478 0.420481524262} N1 11 1 14 {} {0.420584469755 0.438605427616 0.286309298815} Si4 12 1 14 {} {0.388654284668 0.413039669938 0.521808822119} Si5 13 1 7 {} {0.362124538992 0.454037339455 0.61072188057} N2 14 1 7 {} {0.340001320888 0.589976785679 0.146118144329} N3 15 1 1 {} {0.223160407988 0.494933045599 0.415479430495} H1 16 1 1 {} {0.24399198368 0.574136567011 0.379815200755} H2 17 1 1 {} {0.275877840214 0.539636333154 0.184539507617} H3 18 1 1 {} {0.280981844825 0.368023377845 0.374719791043} H4 19 1 1 {} {0.318044458952 0.372061352424 0.284024276413} H5 20 1 1 {} {0.259902650225 0.376476406282 0.265247712065} H6 21 1 1 {} {0.130106899075 0.459761534036 0.208866315704} H7 22 1 1 {} {0.140719103401 0.436209736009 0.321366840342} H8 23 1 1 {} {0.178018815793 0.411133849466 0.235853296555} H9 24 1 1 {} {0.192537080165 0.581818039099 0.139604315647} H10 25 1 1 {} {0.123851831732 0.576349586644 0.332517178932} H11 26 1 1 {} {0.386721048035 0.552850318979 0.296627090614} H12 27 1 1 {} {0.381140630507 0.59278148215 0.453241409208} H13 28 1 1 {} {0.490211571509 0.475954932526 0.396629077671} H14 29 1 1 {} {0.452919076925 0.3719068584 0.228573285304} H15 30 1 1 {} {0.357975904441 0.357225586886 0.485617189655} H16 31 1 1 {} {0.433707995792 0.384321678459 0.553594018908} H17 32 1 1 {} {0.3330175092 0.474047114762 0.593488804169} H18 33 1 1 {} {0.37853242264 0.487833621691 0.647677653238} H19 34 1 1 {} {0.445042265633 0.545329788135 0.291908778941} H20 35 1 1 {} {0.267370427705 0.616286554682 0.206785241146} H21 36 1 6 {} {0.671343223213 0.656217334288 0.456278184759} C4 37 1 14 {} {0.639051611736 0.597586678679 0.45714383026} Si6 38 1 14 {} {0.632649205059 0.736417460717 0.40572464995} Si7 39 1 8 {} {0.565707674637 0.598796312275 0.363660731484} O5 40 1 8 {} {0.627575432481 0.502481328142 0.429233872109} O6 41 1 6 {} {0.62189146107 0.608410934668 0.628283048978} C5 42 1 6 {} {0.577345128501 0.77724842857 0.453177508313} C6 43 1 8 {} {0.623525540386 0.718329758903 0.297283868913} O7 44 1 8 {} {0.675845418806 0.790026354756 0.417107086926} O8 45 1 14 {} {0.620501427609 0.421772595579 0.407578221934} Si8 46 1 7 {} {0.570825577262 0.372747977732 0.418696850801} N4 47 1 14 {} {0.552205828659 0.324268391803 0.337147793812} Si9 48 1 14 {} {0.548716877659 0.368330066759 0.53618042496} Si10 49 1 7 {} {0.585430393027 0.386707515526 0.610005999233} N5 50 1 7 {} {0.584676630419 0.258117070277 0.290349141591} N6 51 1 1 {} {0.636949991824 0.646744396189 0.519541853281} H22 52 1 1 {} {0.708528812524 0.655312769556 0.458308805022} H23 53 1 1 {} {0.582609699193 0.619444156725 0.287525850899} H24 54 1 1 {} {0.608858443825 0.639847472893 0.712608656606} H25 55 1 1 {} {0.690160206938 0.475625457423 0.636907082337} H26 56 1 1 {} {0.554217819621 0.586616976921 0.514439721162} H27 57 1 1 {} {0.575437788046 0.82851235517 0.423340667685} H28 58 1 1 {} {0.578198715923 0.785343167012 0.526204188062} H29 59 1 1 {} {0.544020264546 0.75581808947 0.438365301803} H30 60 1 1 {} {0.625867472808 0.755257116191 0.255284722873} H31 61 1 1 {} {0.672810743766 0.814703549273 0.472713560629} H32 62 1 1 {} {0.627874758398 0.418488126372 0.303849904647} H33 63 1 1 {} {0.659045873122 0.401135722788 0.460711415416} H34 64 1 1 {} {0.509808158136 0.292062911304 0.367619336657} H35 65 1 1 {} {0.542793857779 0.36804045586 0.256727094993} H36 66 1 1 {} {0.513489126612 0.419584565318 0.560719455992} H37 67 1 1 {} {0.528910979547 0.297569435592 0.54104294611} H38 68 1 1 {} {0.587208221306 0.435303754655 0.632379917249} H39 69 1 1 {} {0.612843335674 0.359495838626 0.633835776346} H40 70 1 1 {} {0.609232168291 0.272708024258 0.249491138293} H41 71 1 1 {} {0.593974131371 0.221836798358 0.330412009548} 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