#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 {} {0.363762447561 0.561019684628 0.412884422846} C1 1 1 14 {} {0.340476081845 0.534368104209 0.523574980134} Si1 2 1 14 {} {0.425409735334 0.571832804966 0.408467712489} Si2 3 1 8 {} {0.353622335929 0.591114580375 0.599582350632} O1 4 1 8 {} {0.285478088454 0.532483737615 0.516635176087} O2 5 1 6 {} {0.359415407198 0.449154711087 0.558253572338} C2 6 1 6 {} {0.456656122101 0.491646739606 0.393792404287} C3 7 1 8 {} {0.438353765257 0.606841487779 0.507326860604} O3 8 1 8 {} {0.438446302185 0.623191855753 0.325355935059} O4 9 1 14 {} {0.235094220426 0.537100141972 0.557853868523} Si3 10 1 7 {} {0.215381877141 0.459005197325 0.592001491424} N1 11 1 14 {} {0.192928696393 0.450721098303 0.699455495696} Si4 12 1 14 {} {0.215946197388 0.391307062021 0.516969243627} Si5 13 1 7 {} {0.209886884239 0.412732509864 0.406625229047} N2 14 1 7 {} {0.142502247701 0.489769870615 0.719524944612} N3 15 1 1 {} {0.353747528204 0.52527135212 0.360563026692} H1 16 1 1 {} {0.348130760698 0.609373785144 0.395869953231} H2 17 1 1 {} {0.383491319862 0.609547674891 0.589958958205} H3 18 1 1 {} {0.350697669564 0.410584223635 0.50893090621} H4 19 1 1 {} {0.34371031887 0.435365282592 0.621974100412} H5 20 1 1 {} {0.39575646492 0.447949627172 0.568236668904} H6 21 1 1 {} {0.492744590038 0.501239759263 0.390629457196} H7 22 1 1 {} {0.447067359138 0.467357165768 0.330784748384} H8 23 1 1 {} {0.450535261626 0.456064769373 0.44828100564} H9 24 1 1 {} {0.469101574313 0.621451241605 0.513557617806} H10 25 1 1 {} {0.470418782354 0.626048083892 0.314003623188} H11 26 1 1 {} {0.233345441744 0.581314549709 0.638111481673} H12 27 1 1 {} {0.206213247878 0.565250538802 0.486199037803} H13 28 1 1 {} {0.186212975779 0.377641763989 0.713733552766} H14 29 1 1 {} {0.22446901944 0.479922541903 0.765481233513} H15 30 1 1 {} {0.259257089715 0.354819514842 0.522782338126} H16 31 1 1 {} {0.178372939173 0.346623415615 0.54353389471} H17 32 1 1 {} {0.236879440456 0.427162490423 0.370447537219} H18 33 1 1 {} {0.181847641795 0.435895845413 0.384309846907} H19 34 1 1 {} {0.141722120486 0.539356688567 0.734625600133} H20 35 1 1 {} {0.114453358067 0.476028779026 0.68604043899} H21 36 1 6 {} {0.627055369083 0.631662788779 0.350124015815} C4 37 1 14 {} {0.583969495526 0.569143556169 0.387519715754} Si6 38 1 14 {} {0.621412543101 0.720137155731 0.386596855922} Si7 39 1 8 {} {0.533689056545 0.604780955121 0.38210740983} O5 40 1 8 {} {0.58473788621 0.504657650517 0.320423208842} O6 41 1 6 {} {0.595018097349 0.537186749646 0.502413454477} C5 42 1 6 {} {0.639561569959 0.737200605072 0.503820074827} C6 43 1 8 {} {0.566559465875 0.734976025107 0.375056595736} O7 44 1 8 {} {0.649269673206 0.769445701475 0.316789276266} O8 45 1 14 {} {0.578336909615 0.444255902834 0.247515774428} Si8 46 1 7 {} {0.590831633543 0.366195672141 0.290503023785} N4 47 1 14 {} {0.547217210382 0.309856741876 0.313927762102} Si9 48 1 14 {} {0.645376821712 0.340845783563 0.31573156149} Si10 49 1 7 {} {0.686482391019 0.3869421678 0.264644670863} N5 50 1 7 {} {0.523195375206 0.266683432732 0.227118820012} N6 51 1 1 {} {0.660472085008 0.613319292232 0.368904015201} H22 52 1 1 {} {0.626321057934 0.632451764262 0.276448006107} H23 53 1 1 {} {0.535930126282 0.653831993464 0.377162477731} H24 54 1 1 {} {0.627137626353 0.510616301794 0.505088835305} H25 55 1 1 {} {0.56892905657 0.501635232196 0.522740022869} H26 56 1 1 {} {0.595941176823 0.577698743681 0.552016844638} H27 57 1 1 {} {0.634302783788 0.789973407756 0.521997346265} H28 58 1 1 {} {0.675154971973 0.725804500856 0.513198202463} H29 59 1 1 {} {0.62058522872 0.706646410559 0.55157922323} H30 60 1 1 {} {0.55613158287 0.780839840789 0.372208838577} H31 61 1 1 {} {0.667095495162 0.805212883494 0.341890893173} H32 62 1 1 {} {0.530682586361 0.442372116119 0.218779206645} H33 63 1 1 {} {0.607542985156 0.460342896295 0.169995344869} H34 64 1 1 {} {0.567176515665 0.259190004226 0.375197368861} H35 65 1 1 {} {0.510473656531 0.347861441584 0.357249153657} H36 66 1 1 {} {0.654674204196 0.346897465966 0.413241811126} H37 67 1 1 {} {0.649162000709 0.269417631605 0.287676625272} H38 68 1 1 {} {0.699657384506 0.427836056964 0.2949250768} H39 69 1 1 {} {0.689427424049 0.390010807975 0.197271525934} H40 70 1 1 {} {0.501140600986 0.290103335482 0.186120493743} H41 71 1 1 {} {0.540734964153 0.231344555493 0.193209374493} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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