#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 {} {0.208115641499 0.528128609421 0.313758756173} C1 1 1 14 {} {0.262075205235 0.490643097866 0.272239806672} Si1 2 1 14 {} {0.161446558646 0.536550025883 0.23312553191} Si2 3 1 8 {} {0.273937690851 0.52124636394 0.172927176725} O1 4 1 8 {} {0.301753509027 0.51170930859 0.342023094312} O2 5 1 6 {} {0.259490951662 0.397406990736 0.266239909065} C2 6 1 6 {} {0.12950352606 0.45718327509 0.215261791291} C3 7 1 8 {} {0.185709800835 0.562807011281 0.138841779259} O3 8 1 8 {} {0.126298868187 0.59761622147 0.261708810846} O4 9 1 14 {} {0.353422276307 0.54041802078 0.348724704168} Si3 10 1 7 {} {0.387762976569 0.477476001935 0.390495294505} N1 11 1 14 {} {0.441500782067 0.475102358411 0.347132275642} Si4 12 1 14 {} {0.36757544232 0.423587771486 0.472730035962} Si5 13 1 7 {} {0.338309290297 0.460495485674 0.558506139009} N2 14 1 7 {} {0.461929707052 0.555885951968 0.349802447325} N3 15 1 1 {} {0.19649263862 0.500001771437 0.372501352209} H1 16 1 1 {} {0.216102292619 0.579076232271 0.337421325413} H2 17 1 1 {} {0.248876073576 0.544021203238 0.143243879091} H3 18 1 1 {} {0.25412182924 0.374061108738 0.331892520543} H4 19 1 1 {} {0.291171305043 0.378081471784 0.23942661531} H5 20 1 1 {} {0.232726525607 0.380878539325 0.22119907534} H6 21 1 1 {} {0.103164419452 0.463882102883 0.165163278172} H7 22 1 1 {} {0.113750623642 0.439919219334 0.277429594468} H8 23 1 1 {} {0.15155193858 0.416866938086 0.191874736943} H9 24 1 1 {} {0.166941628028 0.585991816425 0.0960816815194} H10 25 1 1 {} {0.0976921473757 0.584652651984 0.28665998464} H11 26 1 1 {} {0.369955242112 0.561369858872 0.259802584777} H12 27 1 1 {} {0.351892123083 0.599336510651 0.41081141004} H13 28 1 1 {} {0.466366899271 0.424001478848 0.399633767974} H14 29 1 1 {} {0.44351140788 0.455851198994 0.250438056154} H15 30 1 1 {} {0.336218293281 0.373846884072 0.432461183683} H16 31 1 1 {} {0.40720735279 0.388715429045 0.512009200268} H17 32 1 1 {} {0.306619915644 0.477024070453 0.546667523898} H18 33 1 1 {} {0.35383504136 0.491718837612 0.60173141461} H19 34 1 1 {} {0.487185898892 0.56902396625 0.307912714002} H20 35 1 1 {} {0.465972743577 0.57860756087 0.409705415582} H21 36 1 6 {} {0.653543073725 0.638353392161 0.498321709638} C4 37 1 14 {} {0.613813009372 0.574826186188 0.452010748194} Si6 38 1 14 {} {0.650524338537 0.725120497543 0.453220339916} Si7 39 1 8 {} {0.608953549578 0.583181590166 0.342865353202} O5 40 1 8 {} {0.634026752448 0.499740045332 0.47543250414} O6 41 1 6 {} {0.557644612684 0.579691516038 0.50434886512} C5 42 1 6 {} {0.602597159577 0.775070833881 0.497627832492} C6 43 1 8 {} {0.647232943349 0.713333037226 0.342621685767} O7 44 1 8 {} {0.697843148949 0.766942604359 0.46924923905} O8 45 1 14 {} {0.643407490818 0.421251787861 0.446683074063} Si8 46 1 7 {} {0.598118621097 0.370059080033 0.467149932124} N4 47 1 14 {} {0.578083484739 0.319827719008 0.375217527881} Si9 48 1 14 {} {0.572480659572 0.364679849441 0.56952108219} Si10 49 1 7 {} {0.60819472177 0.384848484708 0.657374592426} N5 50 1 7 {} {0.612381605395 0.256767133323 0.338309092069} N6 51 1 1 {} {0.649060429652 0.639744782662 0.571340772794} H22 52 1 1 {} {0.6877809917 0.620525923452 0.485876377149} H23 53 1 1 {} {0.622294866364 0.623727506121 0.319299352921} H24 54 1 1 {} {0.557707822619 0.57191002832 0.576760826587} H25 55 1 1 {} {0.536823249464 0.540675974479 0.473659250425} H26 56 1 1 {} {0.541867633484 0.628680141258 0.490530887412} H27 57 1 1 {} {0.601600214112 0.825501788636 0.468507616061} H28 58 1 1 {} {0.604753877656 0.780684884696 0.570543461601} H29 59 1 1 {} {0.570435621894 0.750913380898 0.483079343599} H30 60 1 1 {} {0.654022920244 0.750895266339 0.304482246748} H31 61 1 1 {} {0.697920236544 0.80190215566 0.514510570382} H32 62 1 1 {} {0.654593717172 0.416321545012 0.351139422364} H33 63 1 1 {} {0.682613609544 0.400981438562 0.5026415082} H34 64 1 1 {} {0.53631778804 0.288867652612 0.410363545298} H35 65 1 1 {} {0.569954127199 0.363279115077 0.29788885991} H36 66 1 1 {} {0.535274648306 0.413910156354 0.579531431661} H37 67 1 1 {} {0.556431523253 0.295574198488 0.583963025784} H38 68 1 1 {} {0.614362307103 0.434505226734 0.673974406608} H39 69 1 1 {} {0.6360823775 0.354651859956 0.672533255876} H40 70 1 1 {} {0.637002046072 0.268321641686 0.293653129819} H41 71 1 1 {} {0.621744251052 0.218848911946 0.377990347666} 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