#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 {} {0.202491885385 0.529210257229 0.305648130242} C1 1 1 14 {} {0.256417311555 0.492202687785 0.26384884718} Si1 2 1 14 {} {0.155811706532 0.537664427019 0.224639335576} Si2 3 1 8 {} {0.269028738462 0.525324126995 0.16605109688} O1 4 1 8 {} {0.296450647986 0.512394966303 0.334737691569} O2 5 1 6 {} {0.254479302975 0.399030987183 0.256822691387} C2 6 1 6 {} {0.124267793624 0.457971194827 0.206921681441} C3 7 1 8 {} {0.180323002957 0.563440597479 0.130348753602} O3 8 1 8 {} {0.120487521442 0.598802963778 0.251647693181} O4 9 1 14 {} {0.347912065746 0.541411122427 0.339868895937} Si3 10 1 7 {} {0.382673364408 0.478523994215 0.381539404227} N1 11 1 14 {} {0.437101108706 0.476917652232 0.340709334856} Si4 12 1 14 {} {0.362287249249 0.424287945098 0.464288126824} Si5 13 1 7 {} {0.333133387309 0.462071153195 0.549710785769} N2 14 1 7 {} {0.459077285285 0.556625482187 0.346902965567} N3 15 1 1 {} {0.190895790089 0.500571243959 0.364108199848} H1 16 1 1 {} {0.210361742709 0.580033239063 0.329805525008} H2 17 1 1 {} {0.243510524044 0.545430873911 0.135267682847} H3 18 1 1 {} {0.249323132578 0.376018186382 0.322638391343} H4 19 1 1 {} {0.286192831148 0.379969078057 0.230073939043} H5 20 1 1 {} {0.227703128077 0.381922043213 0.212153027879} H6 21 1 1 {} {0.0977520116603 0.464170936055 0.156864624716} H7 22 1 1 {} {0.108734227588 0.440231565908 0.269114009446} H8 23 1 1 {} {0.146675482172 0.418161925982 0.18330923761} H9 24 1 1 {} {0.161824590565 0.586600441685 0.0872048063302} H10 25 1 1 {} {0.0920928857304 0.586449327684 0.277673198505} H11 26 1 1 {} {0.364292568145 0.561381219408 0.250051289445} H12 27 1 1 {} {0.346769907454 0.600218794515 0.400924827112} H13 28 1 1 {} {0.461080231696 0.424504186801 0.393243453331} H14 29 1 1 {} {0.43918954263 0.459612292513 0.243937878251} H15 30 1 1 {} {0.330794508537 0.375139575934 0.424055179541} H16 31 1 1 {} {0.401740193178 0.390029975121 0.503610678783} H17 32 1 1 {} {0.301515773809 0.478572280263 0.538796227175} H18 33 1 1 {} {0.349116803126 0.492491460591 0.59371138344} H19 34 1 1 {} {0.481923655068 0.571596279146 0.300913771402} H20 35 1 1 {} {0.464936139155 0.578833740532 0.406791911694} H21 36 1 6 {} {0.657676849287 0.636651979476 0.50701067107} C4 37 1 14 {} {0.618186155285 0.5728193814 0.459123840106} Si6 38 1 14 {} {0.655318236299 0.723283635166 0.46213044249} Si7 39 1 8 {} {0.615956722926 0.581060720276 0.349460985822} O5 40 1 8 {} {0.637940455715 0.498074241432 0.483448939061} O6 41 1 6 {} {0.561074520743 0.578925334742 0.508204808714} C5 42 1 6 {} {0.607744930333 0.77375882043 0.506893959677} C6 43 1 8 {} {0.651127577345 0.712500221737 0.351655035414} O7 44 1 8 {} {0.702891185646 0.764706481483 0.477803544761} O8 45 1 14 {} {0.648524180068 0.420204060913 0.455527497912} Si8 46 1 7 {} {0.603166512048 0.368007044 0.473619140506} N4 47 1 14 {} {0.583598724733 0.318796714182 0.38511375538} Si9 48 1 14 {} {0.578504756808 0.364664086945 0.580067416723} Si10 49 1 7 {} {0.613687591112 0.383427754879 0.667081685592} N5 50 1 7 {} {0.618640271204 0.256104073862 0.347814635866} N6 51 1 1 {} {0.653569280308 0.638186506775 0.580097346788} H22 52 1 1 {} {0.691750133884 0.617902159149 0.494565608131} H23 53 1 1 {} {0.62822146197 0.623445229443 0.327611127908} H24 54 1 1 {} {0.561210769119 0.568994137763 0.580349081802} H25 55 1 1 {} {0.538997965405 0.54199259615 0.476409124755} H26 56 1 1 {} {0.546637519713 0.628875001104 0.497331796749} H27 57 1 1 {} {0.606984176427 0.824182011912 0.477487209301} H28 58 1 1 {} {0.609798696609 0.779268412323 0.57984577876} H29 59 1 1 {} {0.575677591237 0.749592354716 0.491705973552} H30 60 1 1 {} {0.659075942889 0.749937682914 0.313711411577} H31 61 1 1 {} {0.703287762426 0.799707004145 0.522463320774} H32 62 1 1 {} {0.660046688669 0.415116440465 0.358759089643} H33 63 1 1 {} {0.687707204674 0.399777028552 0.510333018754} H34 64 1 1 {} {0.541835241424 0.286801056546 0.417955079859} H35 65 1 1 {} {0.57544804112 0.361635330417 0.305512108283} H36 66 1 1 {} {0.541283133979 0.414038381649 0.586309061364} H37 67 1 1 {} {0.561310878649 0.295210696054 0.591793678956} H38 68 1 1 {} {0.620280828728 0.432034673029 0.681967698275} H39 69 1 1 {} {0.640729130017 0.354352802183 0.680178599858} H40 70 1 1 {} {0.643244077867 0.267155447044 0.303517060446} H41 71 1 1 {} {0.628174622478 0.218295233449 0.389013913115} 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