#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 {} {0.202691162608 0.529282244526 0.305228641632} C1 1 1 14 {} {0.256428324896 0.491719309523 0.263381898988} Si1 2 1 14 {} {0.15591033247 0.537574190185 0.224538294402} Si2 3 1 8 {} {0.268808007858 0.52409036733 0.165046543397} O1 4 1 8 {} {0.296769703817 0.511791464761 0.333828329112} O2 5 1 6 {} {0.254315417425 0.398535457705 0.257079810401} C2 6 1 6 {} {0.124163216033 0.458073770112 0.206973458113} C3 7 1 8 {} {0.180151374103 0.563024178042 0.129958784353} O3 8 1 8 {} {0.120874368393 0.598506346862 0.252755689609} O4 9 1 14 {} {0.348056940865 0.541445803692 0.339750069346} Si3 10 1 7 {} {0.38292327213 0.478796227733 0.381980946825} N1 11 1 14 {} {0.43734507444 0.476783449635 0.340986331538} Si4 12 1 14 {} {0.362397746624 0.424200620279 0.464388398527} Si5 13 1 7 {} {0.332846386889 0.461643955762 0.549575649227} N2 14 1 7 {} {0.459457631813 0.556346709091 0.347836900361} N3 15 1 1 {} {0.190885167387 0.500900902188 0.363710554937} H1 16 1 1 {} {0.210571078458 0.580214220903 0.329004357119} H2 17 1 1 {} {0.243508511985 0.54549141678 0.134662294962} H3 18 1 1 {} {0.249114859547 0.375419238145 0.322805189437} H4 19 1 1 {} {0.286027024501 0.37945143116 0.230381175342} H5 20 1 1 {} {0.227514580987 0.381829458809 0.212247679941} H6 21 1 1 {} {0.0976907085281 0.464593722747 0.156870769725} H7 22 1 1 {} {0.108487533882 0.440646912565 0.269182120004} H8 23 1 1 {} {0.146328105598 0.417935637058 0.183399532964} H9 24 1 1 {} {0.161609306713 0.586842647888 0.0872532121924} H10 25 1 1 {} {0.0921085342754 0.585760096359 0.278120226869} H11 26 1 1 {} {0.364546311328 0.561714233236 0.250347496836} H12 27 1 1 {} {0.346615528955 0.60003248285 0.400816410681} H13 28 1 1 {} {0.460981622594 0.423861866915 0.3929265759} H14 29 1 1 {} {0.439142219585 0.459512602061 0.244235788961} H15 30 1 1 {} {0.331035737868 0.375194968074 0.423522673894} H16 31 1 1 {} {0.401908591355 0.389859409294 0.503278095042} H17 32 1 1 {} {0.301345994547 0.477953528285 0.538151014265} H18 33 1 1 {} {0.34874743619 0.492681762043 0.593436059301} H19 34 1 1 {} {0.482283133548 0.571464328005 0.300812753499} H20 35 1 1 {} {0.465402034714 0.578738485374 0.406741292025} H21 36 1 6 {} {0.657713697452 0.637247606471 0.507041528845} C4 37 1 14 {} {0.618261976882 0.573005621372 0.459797288679} Si6 38 1 14 {} {0.655417193497 0.723703064844 0.461775560752} Si7 39 1 8 {} {0.616105224532 0.581021899956 0.349924620369} O5 40 1 8 {} {0.638530701551 0.49848762858 0.484266018858} O6 41 1 6 {} {0.560985922884 0.578798257061 0.508803289593} C5 42 1 6 {} {0.607654601453 0.774074011379 0.506479569122} C6 43 1 8 {} {0.652366425188 0.712235198027 0.351252565051} O7 44 1 8 {} {0.702657269028 0.766020709817 0.477423750865} O8 45 1 14 {} {0.648683962339 0.420434074573 0.456205576307} Si8 46 1 7 {} {0.603179949194 0.368384343375 0.473843661378} N4 47 1 14 {} {0.583496241495 0.319264514107 0.385295520315} Si9 48 1 14 {} {0.578500549043 0.364264803076 0.580050010773} Si10 49 1 7 {} {0.613478267572 0.383221959144 0.667452364301} N5 50 1 7 {} {0.618328298451 0.256554910586 0.347373952132} N6 51 1 1 {} {0.653824043489 0.638643257139 0.580173102164} H22 52 1 1 {} {0.691825584136 0.618856528924 0.494088472227} H23 53 1 1 {} {0.628237679963 0.623176821791 0.327685414723} H24 54 1 1 {} {0.560687550589 0.569318686893 0.581041289846} H25 55 1 1 {} {0.5389374954 0.541706462824 0.477251323054} H26 56 1 1 {} {0.546335498059 0.628539905415 0.497466403515} H27 57 1 1 {} {0.606847844007 0.824616734297 0.47737752952} H28 58 1 1 {} {0.609928000607 0.779561090147 0.579501499414} H29 59 1 1 {} {0.575433878919 0.750028744731 0.491974256963} H30 60 1 1 {} {0.659535010634 0.750009179551 0.313370037921} H31 61 1 1 {} {0.703100245724 0.800203487793 0.522905562704} H32 62 1 1 {} {0.660123697097 0.415353739175 0.359343201341} H33 63 1 1 {} {0.687868378698 0.399689182868 0.511006539562} H34 64 1 1 {} {0.541684985937 0.287541428474 0.417989304096} H35 65 1 1 {} {0.575381696049 0.361960524468 0.305449823375} H36 66 1 1 {} {0.540889820577 0.412982479953 0.586630330752} H37 67 1 1 {} {0.561726101301 0.294469849285 0.591493092738} H38 68 1 1 {} {0.620014979153 0.432266847809 0.681389424325} H39 69 1 1 {} {0.640641481643 0.354617650707 0.680497877614} H40 70 1 1 {} {0.642644808916 0.267206854076 0.302865135463} H41 71 1 1 {} {0.627655818799 0.217921598275 0.388108277908} 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