#MD System 2.0 @Title neb0_image03 @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 {} {0.361901692692 0.556208377833 0.413190749932} C1 1 1 14 {} {0.338563811625 0.529767138755 0.523879193319} Si1 2 1 14 {} {0.423475257957 0.566785664067 0.409048010492} Si2 3 1 8 {} {0.351821556241 0.586483501501 0.599899147044} O1 4 1 8 {} {0.283615325228 0.528444527277 0.516687799214} O2 5 1 6 {} {0.357426966199 0.444470672387 0.558610340964} C2 6 1 6 {} {0.454502933458 0.486304632278 0.394348473755} C3 7 1 8 {} {0.436524560642 0.601645694108 0.50801933752} O3 8 1 8 {} {0.436540596095 0.618269542402 0.326053882785} O4 9 1 14 {} {0.233244826149 0.532654095187 0.558152176643} Si3 10 1 7 {} {0.213712994977 0.454576045464 0.592267679387} N1 11 1 14 {} {0.191217918034 0.446212337749 0.699731878535} Si4 12 1 14 {} {0.214135591197 0.386815917307 0.517135083635} Si5 13 1 7 {} {0.208061039341 0.407875191321 0.406686098623} N2 14 1 7 {} {0.140793339423 0.485222836338 0.720021573803} N3 15 1 1 {} {0.351950535564 0.520439419271 0.360878926748} H1 16 1 1 {} {0.346397642688 0.604606964365 0.396101569385} H2 17 1 1 {} {0.381732371863 0.604739542475 0.590392184503} H3 18 1 1 {} {0.348783151787 0.405882584503 0.509256220227} H4 19 1 1 {} {0.341703030956 0.430611661179 0.622278967205} H5 20 1 1 {} {0.393744206487 0.443255621695 0.568666989069} H6 21 1 1 {} {0.490560868017 0.495840387791 0.391460609034} H7 22 1 1 {} {0.44494722735 0.46193730138 0.331370206844} H8 23 1 1 {} {0.448160167714 0.450935935626 0.448995111379} H9 24 1 1 {} {0.467419356287 0.615605019702 0.513899814734} H10 25 1 1 {} {0.468522163853 0.61901857474 0.314090377963} H11 26 1 1 {} {0.231553557902 0.576892227066 0.638491671374} H12 27 1 1 {} {0.204266031011 0.560749012516 0.486531003724} H13 28 1 1 {} {0.184519864147 0.373118841568 0.71404995462} H14 29 1 1 {} {0.222788607737 0.475365592112 0.765831070096} H15 30 1 1 {} {0.25739637451 0.35012407057 0.523024165876} H16 31 1 1 {} {0.176495635866 0.342310814352 0.543883827497} H17 32 1 1 {} {0.235081926142 0.422663016069 0.370787724431} H18 33 1 1 {} {0.180100235128 0.43144168821 0.384679186188} H19 34 1 1 {} {0.139993658403 0.534849200406 0.73490676426} H20 35 1 1 {} {0.11274769585 0.471384744912 0.686594509079} H21 36 1 6 {} {0.629079693927 0.636354373493 0.349686806658} C4 37 1 14 {} {0.585933979575 0.57403509768 0.387147359836} Si6 38 1 14 {} {0.623341543052 0.724870833075 0.386230170466} Si7 39 1 8 {} {0.53609691452 0.611089079738 0.381687402916} O5 40 1 8 {} {0.586281020737 0.509553404295 0.320030964094} O6 41 1 6 {} {0.596666809857 0.542019630663 0.502075332074} C5 42 1 6 {} {0.641378226409 0.741810839107 0.503463186868} C6 43 1 8 {} {0.568458057895 0.739712666643 0.374871725252} O7 44 1 8 {} {0.650999059198 0.774230960472 0.316303958023} O8 45 1 14 {} {0.580097600838 0.449025238916 0.247193500876} Si8 46 1 7 {} {0.592687130461 0.370905925283 0.290281808624} N4 47 1 14 {} {0.549075524746 0.31452589981 0.313550102268} Si9 48 1 14 {} {0.647243106068 0.345610110808 0.315425522173} Si10 49 1 7 {} {0.688227883949 0.391867067692 0.264168079674} N5 50 1 7 {} {0.525217359806 0.27149301521 0.226467387056} N6 51 1 1 {} {0.662515842029 0.618082525692 0.368236716148} H22 52 1 1 {} {0.62812522407 0.63712646933 0.276056842409} H23 53 1 1 {} {0.539146947528 0.660127149587 0.377342488447} H24 54 1 1 {} {0.628741581014 0.515351863838 0.505159976784} H25 55 1 1 {} {0.57047182529 0.506592980157 0.522281427423} H26 56 1 1 {} {0.597521516633 0.582602504628 0.551618590545} H27 57 1 1 {} {0.636118463858 0.794588697243 0.521667170888} H28 58 1 1 {} {0.676957824331 0.730363181354 0.512886090542} H29 59 1 1 {} {0.62235155492 0.711251011257 0.551154653853} H30 60 1 1 {} {0.557791777524 0.785437237195 0.371847024976} H31 61 1 1 {} {0.66890274729 0.809936722819 0.341313885241} H32 62 1 1 {} {0.532509050465 0.446892330272 0.218336137376} H33 63 1 1 {} {0.609350463306 0.465063778341 0.169774186197} H34 64 1 1 {} {0.568988867025 0.263782511833 0.374729692007} H35 65 1 1 {} {0.512253923839 0.352397120455 0.356798363201} H36 66 1 1 {} {0.656534685519 0.351719726671 0.412894502791} H37 67 1 1 {} {0.651121557916 0.274210937885 0.287266703978} H38 68 1 1 {} {0.701659246772 0.432533549614 0.294509049277} H39 69 1 1 {} {0.691209206862 0.394761398863 0.196794321103} H40 70 1 1 {} {0.502871108374 0.294558414183 0.185766364983} H41 71 1 1 {} {0.542592286533 0.235943647089 0.192631844101} 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