#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 {} {0.351095289185 0.555080685241 0.421915529588} C1 1 1 14 {} {0.33205472847 0.522080077257 0.532965112042} Si1 2 1 14 {} {0.406334909472 0.597211906849 0.417703128714} Si2 3 1 8 {} {0.33531843228 0.58232146764 0.608215090415} O1 4 1 8 {} {0.279077010027 0.500059248569 0.525012537279} O2 5 1 6 {} {0.363701588873 0.446104703645 0.568350419406} C2 6 1 6 {} {0.455413531967 0.539609911804 0.411437055441} C3 7 1 8 {} {0.407942250808 0.641620660968 0.51278896518} O3 8 1 8 {} {0.406658188011 0.648108725936 0.329932874272} O4 9 1 14 {} {0.22682705781 0.505680286068 0.555602723925} Si3 10 1 7 {} {0.207174217422 0.426974903377 0.587050705786} N1 11 1 14 {} {0.171131727807 0.42266216046 0.678920682087} Si4 12 1 14 {} {0.222782564814 0.356951524403 0.523041105354} Si5 13 1 7 {} {0.223987289168 0.36931731408 0.409454166453} N2 14 1 7 {} {0.12360930027 0.470969172785 0.67173570818} N3 15 1 1 {} {0.350659121903 0.514657098308 0.371867595382} H1 16 1 1 {} {0.326174515249 0.592236948712 0.399890850551} H2 17 1 1 {} {0.35910616792 0.614497177485 0.595147403484} H3 18 1 1 {} {0.360379494069 0.405108089814 0.519848551384} H4 19 1 1 {} {0.351030272794 0.428047686689 0.632852892697} H5 20 1 1 {} {0.399420653167 0.457092301824 0.576634488124} H6 21 1 1 {} {0.487205105649 0.567258186176 0.410660215047} H7 22 1 1 {} {0.453993688036 0.509013942317 0.35045787107} H8 23 1 1 {} {0.456385440192 0.505437128842 0.468868680508} H9 24 1 1 {} {0.433198771424 0.670947310838 0.523086257963} H10 25 1 1 {} {0.435016472925 0.656894624673 0.301131524691} H11 26 1 1 {} {0.221037221549 0.551351647311 0.633613045963} H12 27 1 1 {} {0.201303358602 0.532259167239 0.477907014428} H13 28 1 1 {} {0.158253987255 0.350950700922 0.687040788248} H14 29 1 1 {} {0.19417723517 0.44698907884 0.760795793453} H15 30 1 1 {} {0.26869218172 0.335289816152 0.548007356066} H16 31 1 1 {} {0.189644118431 0.303570374961 0.543391389164} H17 32 1 1 {} {0.250419703642 0.393336747553 0.381556395606} H18 33 1 1 {} {0.195517886903 0.380012145889 0.375501910121} H19 34 1 1 {} {0.123437130001 0.51856422216 0.69549487183} H20 35 1 1 {} {0.100956470143 0.465026790184 0.621959638437} H21 36 1 6 {} {0.59085337115 0.32758456917 0.309980574358} C4 37 1 14 {} {0.586089055624 0.361135583713 0.426947955599} Si6 38 1 14 {} {0.574912354613 0.238542692864 0.292046670633} Si7 39 1 8 {} {0.614707731314 0.312044475772 0.495009268125} O5 40 1 8 {} {0.608715284698 0.436113393968 0.431975503087} O6 41 1 6 {} {0.526824409518 0.369853390585 0.46359125581} C5 42 1 6 {} {0.51401097372 0.227872341394 0.268425909862} C6 43 1 8 {} {0.590172987751 0.199855456186 0.386325410804} O7 44 1 8 {} {0.604631605531 0.201537158991 0.212152069848} O8 45 1 14 {} {0.652450757289 0.481038282321 0.460605673607} Si8 46 1 7 {} {0.636983867631 0.562074203556 0.487814552573} N4 47 1 14 {} {0.643241239033 0.589652007501 0.597913979191} Si9 48 1 14 {} {0.613038806789 0.615743000107 0.408338430722} Si10 49 1 7 {} {0.624030419696 0.596697401927 0.298969468356} N5 50 1 7 {} {0.696355684304 0.609541167774 0.634276924547} N6 51 1 1 {} {0.571438972299 0.359351959579 0.26402533069} H22 52 1 1 {} {0.626186773051 0.332722174661 0.290390691947} H23 53 1 1 {} {0.613159009109 0.264937073929 0.477491063665} H24 54 1 1 {} {0.507705863455 0.402829153674 0.41902363892} H25 55 1 1 {} {0.52560397973 0.391325600539 0.531114680259} H26 56 1 1 {} {0.510037132347 0.320951858054 0.465953000807} H27 57 1 1 {} {0.504677898772 0.17477056549 0.263785084135} H28 58 1 1 {} {0.504761705738 0.252051997984 0.205068341914} H29 59 1 1 {} {0.493588850093 0.250784533673 0.32116452227} H30 60 1 1 {} {0.592870095938 0.151509257846 0.384078981191} H31 61 1 1 {} {0.591419808972 0.197492106612 0.153469853131} H32 62 1 1 {} {0.674473091465 0.452219679545 0.541307975631} H33 63 1 1 {} {0.684170501121 0.4806043024 0.383998299683} H34 64 1 1 {} {0.615929801965 0.651879446986 0.604772624121} H35 65 1 1 {} {0.627078967325 0.536761388579 0.659915937222} H36 66 1 1 {} {0.563300394241 0.614895456122 0.416361862434} H37 67 1 1 {} {0.630020767243 0.684574263814 0.426835042807} H38 68 1 1 {} {0.607767348092 0.557933103115 0.269023534861} H39 69 1 1 {} {0.655832248721 0.600020166725 0.274719594442} H40 70 1 1 {} {0.717541349671 0.57239471182 0.652185791379} H41 71 1 1 {} {0.713131775626 0.648538465385 0.607186473839} 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