#MD System 2.0 @Title neb0_image08 @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 {} {0.370897102884 0.581485964105 0.411476669538} C1 1 1 14 {} {0.348370149632 0.554594762187 0.521943781861} Si1 2 1 14 {} {0.432551594732 0.589469977006 0.407291910644} Si2 3 1 8 {} {0.361540188819 0.611318150622 0.597962595821} O1 4 1 8 {} {0.293316266564 0.552653271828 0.514945659885} O2 5 1 6 {} {0.36729030913 0.46935675634 0.556606243596} C2 6 1 6 {} {0.459552369404 0.504976295856 0.392615299473} C3 7 1 8 {} {0.446039647318 0.625757612741 0.505385060536} O3 8 1 8 {} {0.444923950897 0.642947675257 0.325281158817} O4 9 1 14 {} {0.243080038063 0.557367993657 0.556130437031} Si3 10 1 7 {} {0.22337090219 0.479215991593 0.590319825859} N1 11 1 14 {} {0.200962585428 0.470963748444 0.697788813249} Si4 12 1 14 {} {0.223957318614 0.411557369713 0.515225868109} Si5 13 1 7 {} {0.217853500556 0.432584345028 0.404710733824} N2 14 1 7 {} {0.150514709307 0.50994110578 0.718079624825} N3 15 1 1 {} {0.361659870587 0.545478418065 0.35906031952} H1 16 1 1 {} {0.355840001562 0.630010309602 0.394235434151} H2 17 1 1 {} {0.391404329829 0.629615144248 0.588126695799} H3 18 1 1 {} {0.358680614883 0.43072455994 0.507245506235} H4 19 1 1 {} {0.351556213845 0.455545453699 0.620335769221} H5 20 1 1 {} {0.40363010284 0.468094782339 0.566604248853} H6 21 1 1 {} {0.49515155467 0.513212936763 0.390270563061} H7 22 1 1 {} {0.450063366415 0.482001642807 0.329053724531} H8 23 1 1 {} {0.452551756111 0.470397250604 0.447358468049} H9 24 1 1 {} {0.476835866479 0.639877852603 0.512532726289} H10 25 1 1 {} {0.476067234862 0.643561428822 0.307076533176} H11 26 1 1 {} {0.241351109428 0.601561212292 0.636362734035} H12 27 1 1 {} {0.214178852805 0.585451164135 0.484541481175} H13 28 1 1 {} {0.194267032323 0.397888646401 0.712101078412} H14 29 1 1 {} {0.232504278471 0.500132540663 0.76382624042} H15 30 1 1 {} {0.267190789046 0.374967689567 0.521068521866} H16 31 1 1 {} {0.1863410597 0.366960145159 0.541826349441} H17 32 1 1 {} {0.244864842495 0.44741003904 0.368817561755} H18 33 1 1 {} {0.189897016146 0.456188851655 0.382689873422} H19 34 1 1 {} {0.149745420277 0.559578507108 0.732883420879} H20 35 1 1 {} {0.122515151072 0.496225621317 0.684406159212} H21 36 1 6 {} {0.622218306582 0.612010233954 0.351279373344} C4 37 1 14 {} {0.578337951288 0.551077315904 0.389179289586} Si6 38 1 14 {} {0.614432707937 0.700343031053 0.388349688462} Si7 39 1 8 {} {0.531723078464 0.595036326264 0.384121380067} O5 40 1 8 {} {0.57702736317 0.485997770252 0.322261672555} O6 41 1 6 {} {0.587732960377 0.516987312075 0.504050875648} C5 42 1 6 {} {0.631594316734 0.717088073596 0.505720874588} C6 43 1 8 {} {0.559505250626 0.716945240006 0.376779619565} O7 44 1 8 {} {0.641197081338 0.749950883847 0.318187056846} O8 45 1 14 {} {0.570360180219 0.424681660722 0.249733824247} Si8 46 1 7 {} {0.58283629974 0.346324240563 0.292331149961} N4 47 1 14 {} {0.539160629209 0.28985648884 0.315773864419} Si9 48 1 14 {} {0.637387327302 0.320783388168 0.317444731341} Si10 49 1 7 {} {0.678412313077 0.366988735253 0.266242186668} N5 50 1 7 {} {0.515366443259 0.246731438028 0.228679892566} N6 51 1 1 {} {0.656138588706 0.594515951248 0.368984966515} H22 52 1 1 {} {0.6191958504 0.612232322136 0.277606022635} H23 53 1 1 {} {0.536827566275 0.64439765999 0.379560168781} H24 54 1 1 {} {0.619632805447 0.489578781364 0.508794011458} H25 55 1 1 {} {0.56096481903 0.481992668856 0.523088296511} H26 56 1 1 {} {0.588115081633 0.557546332302 0.553758220195} H27 57 1 1 {} {0.626299842158 0.76984846468 0.523714399247} H28 58 1 1 {} {0.667152424389 0.7056033693 0.514894201718} H29 59 1 1 {} {0.612584855036 0.686438030154 0.553339683921} H30 60 1 1 {} {0.548214333483 0.762319369807 0.373559289927} H31 61 1 1 {} {0.659151640496 0.785355032796 0.343335753456} H32 62 1 1 {} {0.522750258424 0.422346571432 0.220647287641} H33 63 1 1 {} {0.599551185532 0.440248306541 0.17178897269} H34 64 1 1 {} {0.559171290149 0.239036023239 0.376861245685} H35 65 1 1 {} {0.502366668257 0.327868299303 0.358965729441} H36 66 1 1 {} {0.64669611642 0.326848288385 0.414930135942} H37 67 1 1 {} {0.641237663247 0.249352443547 0.289269237613} H38 68 1 1 {} {0.69182003959 0.40769426607 0.296554158729} H39 69 1 1 {} {0.681430714272 0.369889046607 0.198873675498} H40 70 1 1 {} {0.493065073543 0.269785729431 0.18785231008} H41 71 1 1 {} {0.532746209856 0.211161948929 0.194851247866} 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