#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 {} {0.208068837871 0.528197479882 0.313994289891} C1 1 1 14 {} {0.261865011365 0.490708863609 0.272431191263} Si1 2 1 14 {} {0.161454996023 0.536555479174 0.233154394684} Si2 3 1 8 {} {0.273885832235 0.522004742334 0.17300474518} O1 4 1 8 {} {0.301794584839 0.511456555322 0.342357839546} O2 5 1 6 {} {0.259562975907 0.397555214731 0.26614210142} C2 6 1 6 {} {0.12955556614 0.457130913529 0.215345860644} C3 7 1 8 {} {0.185743614309 0.562663115683 0.138888250098} O3 8 1 8 {} {0.126269657202 0.597516849789 0.261494535145} O4 9 1 14 {} {0.353472136981 0.540854230397 0.349182631784} Si3 10 1 7 {} {0.387944683307 0.477603782253 0.390505344138} N1 11 1 14 {} {0.441694543337 0.475328532842 0.347013764957} Si4 12 1 14 {} {0.367608688325 0.423237404668 0.473190249253} Si5 13 1 7 {} {0.338118414492 0.460491689369 0.558478480264} N2 14 1 7 {} {0.462194720847 0.555989228355 0.350897473215} N3 15 1 1 {} {0.196355777989 0.499817019103 0.372487122212} H1 16 1 1 {} {0.216020940666 0.579140411789 0.337618253436} H2 17 1 1 {} {0.248953786366 0.544330710876 0.14332617351} H3 18 1 1 {} {0.254301182119 0.37421829018 0.331661529707} H4 19 1 1 {} {0.291258835874 0.378447456699 0.239330305742} H5 20 1 1 {} {0.232822195682 0.381091387444 0.22109087465} H6 21 1 1 {} {0.103113517357 0.463725717184 0.165239454563} H7 22 1 1 {} {0.11383467364 0.439762910809 0.277570707598} H8 23 1 1 {} {0.151704453778 0.416901954526 0.191922524887} H9 24 1 1 {} {0.167023209225 0.585818531365 0.096204654583} H10 25 1 1 {} {0.0977016680269 0.584870973894 0.286561649869} H11 26 1 1 {} {0.369902255924 0.561044292029 0.259759970618} H12 27 1 1 {} {0.352039250449 0.599279714209 0.410316143504} H13 28 1 1 {} {0.466366802082 0.423782303622 0.400444652115} H14 29 1 1 {} {0.443924673894 0.456653221285 0.250976382538} H15 30 1 1 {} {0.336266483902 0.374037754556 0.432432833554} H16 31 1 1 {} {0.407198326805 0.388779485757 0.511871757287} H17 32 1 1 {} {0.306690449279 0.477239109923 0.546909402629} H18 33 1 1 {} {0.354099598448 0.491905413416 0.602184460711} H19 34 1 1 {} {0.487180177115 0.569278843564 0.308381654278} H20 35 1 1 {} {0.466839908392 0.578188336283 0.411030789322} H21 36 1 6 {} {0.653152161587 0.638252562134 0.498218739478} C4 37 1 14 {} {0.613625425923 0.574614082909 0.451626992242} Si6 38 1 14 {} {0.650379425996 0.724788790278 0.453182457488} Si7 39 1 8 {} {0.609133939814 0.582803816771 0.342254095253} O5 40 1 8 {} {0.633786315397 0.499601704735 0.475081143689} O6 41 1 6 {} {0.557370696441 0.579984135343 0.503598364801} C5 42 1 6 {} {0.60251184371 0.774979673367 0.497953873986} C6 43 1 8 {} {0.647125806811 0.713084549508 0.342765485502} O7 44 1 8 {} {0.697737895373 0.766644552694 0.469421560138} O8 45 1 14 {} {0.643157864584 0.42136236705 0.447193288846} Si8 46 1 7 {} {0.598007213245 0.36960900478 0.466622101103} N4 47 1 14 {} {0.578483379637 0.319200774772 0.37628074787} Si9 48 1 14 {} {0.571916185251 0.364860109462 0.568344696144} Si10 49 1 7 {} {0.610230671071 0.385160170843 0.65986140353} N5 50 1 7 {} {0.612120179318 0.257789393909 0.337946434334} N6 51 1 1 {} {0.648608962458 0.639371504517 0.571186357857} H22 52 1 1 {} {0.687280867427 0.62016080582 0.485719728362} H23 53 1 1 {} {0.622540976085 0.624068541129 0.318844005328} H24 54 1 1 {} {0.556985337838 0.571513223338 0.575942907843} H25 55 1 1 {} {0.536837525132 0.541148447884 0.471902528527} H26 56 1 1 {} {0.541896747712 0.62901013483 0.490163504639} H27 57 1 1 {} {0.601593355385 0.825461680117 0.468576079521} H28 58 1 1 {} {0.604550335395 0.780642549254 0.570963342888} H29 59 1 1 {} {0.570315986031 0.750903788114 0.48321596031} H30 60 1 1 {} {0.653937090968 0.751071927178 0.304374684976} H31 61 1 1 {} {0.697887800039 0.801255280295 0.513894593708} H32 62 1 1 {} {0.654585228031 0.416380721183 0.350642672644} H33 63 1 1 {} {0.682613752241 0.401087541953 0.502475369477} H34 64 1 1 {} {0.536327558325 0.288619031068 0.409816842367} H35 65 1 1 {} {0.569926790967 0.363118134082 0.297313101553} H36 66 1 1 {} {0.535508091003 0.414232516018 0.579288501039} H37 67 1 1 {} {0.556328390503 0.295510387814 0.583862150582} H38 68 1 1 {} {0.61429258982 0.432440036027 0.6729927017} H39 69 1 1 {} {0.63463473735 0.356234962828 0.671717313406} H40 70 1 1 {} {0.637273447378 0.268289576032 0.293901464272} H41 71 1 1 {} {0.622180943087 0.218438317295 0.379260402869} 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