#MD System 2.0 @Title neb0_image09 @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 {} {0.225869603376 0.524511891595 0.347337923596} C1 1 1 14 {} {0.277918489912 0.486676061712 0.306047298789} Si1 2 1 14 {} {0.180592365029 0.533813372785 0.26686751308} Si2 3 1 8 {} {0.293812519849 0.515726060018 0.20762981547} O1 4 1 8 {} {0.309249369781 0.516828482673 0.390623391046} O2 5 1 6 {} {0.281007061998 0.393683555512 0.301063439166} C2 6 1 6 {} {0.150861324261 0.452981984203 0.249226680353} C3 7 1 8 {} {0.206526823763 0.561255767238 0.175133050979} O3 8 1 8 {} {0.145569101236 0.593855337139 0.296233607413} O4 9 1 14 {} {0.363108345325 0.531050104452 0.382179223082} Si3 10 1 7 {} {0.391580894273 0.454790107815 0.396966655769} N1 11 1 14 {} {0.438237810914 0.462119978231 0.319931075564} Si4 12 1 14 {} {0.38315454489 0.411915489226 0.503254643048} Si5 13 1 7 {} {0.359037732705 0.455973795191 0.589745136888} N2 14 1 7 {} {0.427438004996 0.539071912437 0.260671123506} N3 15 1 1 {} {0.216921558746 0.495703842468 0.407076780238} H1 16 1 1 {} {0.237472046686 0.57372224827 0.370431225698} H2 17 1 1 {} {0.270369247584 0.540997644231 0.176286013849} H3 18 1 1 {} {0.275796653977 0.370612794552 0.366941942513} H4 19 1 1 {} {0.312989784873 0.375238943967 0.274520751353} H5 20 1 1 {} {0.254581510749 0.375729521001 0.255585750319} H6 21 1 1 {} {0.124341029014 0.45908137091 0.199355573943} H7 22 1 1 {} {0.135535662721 0.436349030083 0.312164472057} H8 23 1 1 {} {0.173180340731 0.412713392288 0.226579422574} H9 24 1 1 {} {0.18776589999 0.582935292035 0.130496753739} H10 25 1 1 {} {0.117863800552 0.578911313573 0.323826590594} H11 26 1 1 {} {0.36940488067 0.555666614282 0.27399880274} H12 27 1 1 {} {0.375700431334 0.58587295326 0.439375069805} H13 28 1 1 {} {0.480206335805 0.469050412955 0.376158621195} H14 29 1 1 {} {0.440078044895 0.39316064302 0.257426589037} H15 30 1 1 {} {0.352670453827 0.357647708845 0.486480720324} H16 31 1 1 {} {0.425065639537 0.387737099318 0.541515053711} H17 32 1 1 {} {0.3277129269 0.473826489295 0.586831517734} H18 33 1 1 {} {0.375052657745 0.485511256072 0.635085826347} H19 34 1 1 {} {0.441376784272 0.580290082355 0.295935576574} H20 35 1 1 {} {0.365693891059 0.615916519503 0.277670798848} H21 36 1 6 {} {0.664177027463 0.649719431552 0.465406425312} C4 37 1 14 {} {0.616070679858 0.57918550395 0.446722427042} Si6 38 1 14 {} {0.640713279727 0.73370275031 0.416637686276} Si7 39 1 8 {} {0.579835266612 0.59568433509 0.365085713603} O5 40 1 8 {} {0.638275791078 0.50115602536 0.439768127556} O6 41 1 6 {} {0.583380204262 0.575974844101 0.55257428896} C5 42 1 6 {} {0.585717627595 0.773497851351 0.462762680259} C6 43 1 8 {} {0.629536987058 0.721417049393 0.308978462179} O7 44 1 8 {} {0.678026519253 0.795431341664 0.423589872109} O8 45 1 14 {} {0.628597238946 0.422467007975 0.413453204626} Si8 46 1 7 {} {0.578479974527 0.378215518709 0.43344126174} N4 47 1 14 {} {0.557774450052 0.32528907894 0.344644938909} Si9 48 1 14 {} {0.554912274602 0.368316080631 0.540242978838} Si10 49 1 7 {} {0.591974304067 0.385211008351 0.625762327766} N5 50 1 7 {} {0.591314903801 0.261496945497 0.30390148329} N6 51 1 1 {} {0.659613597173 0.655908595938 0.538020252303} H22 52 1 1 {} {0.700821003369 0.65886552212 0.473162113132} H23 53 1 1 {} {0.589219619024 0.622540244933 0.306995251376} H24 54 1 1 {} {0.59553224967 0.616573621442 0.597083148821} H25 55 1 1 {} {0.580868541709 0.53206671833 0.601772830442} H26 56 1 1 {} {0.547446515613 0.576401649972 0.527864526856} H27 57 1 1 {} {0.582769662587 0.823684030196 0.432796842871} H28 58 1 1 {} {0.584567579573 0.782347073902 0.534752718735} H29 59 1 1 {} {0.553364721056 0.750277199471 0.446173232446} H30 60 1 1 {} {0.631245382252 0.756157601979 0.263661807837} H31 61 1 1 {} {0.679906100634 0.817432188458 0.479981950353} H32 62 1 1 {} {0.633673865462 0.414734928707 0.315273321277} H33 63 1 1 {} {0.664641582975 0.392628620983 0.465382232609} H34 64 1 1 {} {0.51606210869 0.291282450875 0.375942621029} H35 65 1 1 {} {0.548575438198 0.367001101563 0.264014984075} H36 66 1 1 {} {0.519399964773 0.41796467608 0.561610210637} H37 67 1 1 {} {0.536188767655 0.298699005954 0.54906526467} H38 68 1 1 {} {0.594676880851 0.433253295757 0.64355557288} H39 69 1 1 {} {0.620531623696 0.358664387935 0.642423924123} H40 70 1 1 {} {0.615660460945 0.271725265084 0.258921814899} H41 71 1 1 {} {0.600382125591 0.221401184902 0.341727012273} 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