#MD System 2.0 @Title neb0_image02 @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 {} {0.205069926568 0.528734241835 0.309829307273} C1 1 1 14 {} {0.259011550733 0.491764065758 0.268083916278} Si1 2 1 14 {} {0.158371099744 0.537210195249 0.228861691328} Si2 3 1 8 {} {0.271620352473 0.524848386076 0.170269534428} O1 4 1 8 {} {0.299025277751 0.511979240011 0.338970011453} O2 5 1 6 {} {0.257056574703 0.398580328738 0.261009114557} C2 6 1 6 {} {0.126848199791 0.457472901254 0.211099037797} C3 7 1 8 {} {0.182872177968 0.562973476411 0.134564952678} O3 8 1 8 {} {0.123051549583 0.59837838526 0.25578038741} O4 9 1 14 {} {0.350513573572 0.540948747321 0.344102422408} Si3 10 1 7 {} {0.385245941915 0.478036685157 0.38570228487} N1 11 1 14 {} {0.439641453696 0.476421722552 0.344802707771} Si4 12 1 14 {} {0.364878225404 0.423853712396 0.46852247782} Si5 13 1 7 {} {0.335711953278 0.461592241941 0.553916035099} N2 14 1 7 {} {0.461623592241 0.556122565077 0.35100518035} N3 15 1 1 {} {0.193485267291 0.500099105177 0.368302229488} H1 16 1 1 {} {0.212941409262 0.579551224242 0.333998195104} H2 17 1 1 {} {0.246100897461 0.54494439729 0.139466180387} H3 18 1 1 {} {0.251904114284 0.375559016031 0.326822975899} H4 19 1 1 {} {0.288769612464 0.379519925265 0.234256337102} H5 20 1 1 {} {0.230286974894 0.381450828823 0.216319450134} H6 21 1 1 {} {0.100336278531 0.463687470937 0.161033054669} H7 22 1 1 {} {0.111313804011 0.439740035867 0.273292091291} H8 23 1 1 {} {0.149270396887 0.417682847273 0.187477936912} H9 24 1 1 {} {0.164395130528 0.586128251692 0.0913647559669} H10 25 1 1 {} {0.0946683770709 0.58598654146 0.281853592873} H11 26 1 1 {} {0.36687064231 0.56090606442 0.254235197706} H12 27 1 1 {} {0.349352433474 0.59976251948 0.405121673797} H13 28 1 1 {} {0.463668376676 0.424053159565 0.397420659902} H14 29 1 1 {} {0.441774416392 0.459125111898 0.24807623095} H15 30 1 1 {} {0.333385267022 0.374673240261 0.428252319406} H16 31 1 1 {} {0.404326283069 0.389555620736 0.507805600303} H17 32 1 1 {} {0.304106310973 0.478101013039 0.542971295387} H18 33 1 1 {} {0.351707153444 0.492021007616 0.597898387467} H19 34 1 1 {} {0.48450962299 0.571120773895 0.305070305904} H20 35 1 1 {} {0.467450375463 0.578351524414 0.410858175447} H21 36 1 6 {} {0.655095870023 0.637080157016 0.502820576136} C4 37 1 14 {} {0.615606406996 0.573257596466 0.454945855364} Si6 38 1 14 {} {0.65273753259 0.723744013742 0.458008123036} Si7 39 1 8 {} {0.613298253693 0.581575262878 0.345303749516} O5 40 1 8 {} {0.635345252692 0.498525332063 0.479219309528} O6 41 1 6 {} {0.558530810978 0.579419096143 0.504077299458} C5 42 1 6 {} {0.605164048651 0.774225379041 0.502733594178} C6 43 1 8 {} {0.648419367577 0.713001459011 0.347504811042} O7 44 1 8 {} {0.700346762878 0.765147162252 0.473619038709} O8 45 1 14 {} {0.645908199731 0.420658714685 0.451291020953} Si8 46 1 7 {} {0.60062554666 0.368493552864 0.469571292168} N4 47 1 14 {} {0.581102520677 0.319182114951 0.380878916258} Si9 48 1 14 {} {0.575858601428 0.365115648638 0.575547958559} Si10 49 1 7 {} {0.611162437942 0.383919157193 0.662825242846} N5 50 1 7 {} {0.616043124756 0.256560564662 0.343577190631} N6 51 1 1 {} {0.65098065257 0.638649475239 0.575897763837} H22 52 1 1 {} {0.689175654713 0.618351343256 0.490379246028} H23 53 1 1 {} {0.625634169743 0.62390030169 0.323455913291} H24 54 1 1 {} {0.558660251206 0.569479345088 0.576218958256} H25 55 1 1 {} {0.536502311641 0.542448343769 0.472254859537} H26 56 1 1 {} {0.544086561096 0.629358787033 0.493161543679} H27 57 1 1 {} {0.60440574608 0.824648804704 0.47330080298} H28 58 1 1 {} {0.607212720208 0.779743600699 0.57567516443} H29 59 1 1 {} {0.573101055943 0.750062097324 0.487515352829} H30 60 1 1 {} {0.656473696186 0.750388375877 0.309551440334} H31 61 1 1 {} {0.70070693372 0.80016143932 0.518255227588} H32 62 1 1 {} {0.657464286893 0.415592433004 0.354564231633} H33 63 1 1 {} {0.685113678551 0.400280164196 0.506138301758} H34 64 1 1 {} {0.539278160698 0.287293394232 0.413782569074} H35 65 1 1 {} {0.572873089242 0.362122364285 0.301346636469} H36 66 1 1 {} {0.538729715992 0.414524661364 0.58220579801} H37 67 1 1 {} {0.558738225295 0.295698611944 0.587685825784} H38 68 1 1 {} {0.617705304236 0.432553573997 0.67784741332} H39 69 1 1 {} {0.638176814029 0.354794624914 0.67603612877} H40 70 1 1 {} {0.640656483327 0.267621517952 0.299375627313} H41 71 1 1 {} {0.625593013526 0.218787896186 0.384819634325} 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