#MD System 2.0 @Title neb0_image07 @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 {} {0.21830028372 0.526308839287 0.331245044669} C1 1 1 14 {} {0.272245873923 0.489343709155 0.289512416198} Si1 2 1 14 {} {0.17162719211 0.534781181106 0.250235808071} Si2 3 1 8 {} {0.284809852677 0.522273586453 0.191593883537} O1 4 1 8 {} {0.312199746732 0.509717817267 0.360336429823} O2 5 1 6 {} {0.270298309943 0.396148777132 0.282440878549} C2 6 1 6 {} {0.140092376016 0.455066644711 0.232534733802} C3 7 1 8 {} {0.196128497926 0.560754666989 0.156018111678} O3 8 1 8 {} {0.136275951763 0.595813652656 0.277306494858} O4 9 1 14 {} {0.363684955706 0.538581902189 0.365366963472} Si3 10 1 7 {} {0.397885377889 0.475285161659 0.407487979035} N1 11 1 14 {} {0.451452494821 0.472821506483 0.364044991515} Si4 12 1 14 {} {0.377923192263 0.421295843029 0.490325387411} Si5 13 1 7 {} {0.348883152735 0.459144476396 0.575518406429} N2 14 1 7 {} {0.469756435197 0.554806378876 0.364773838907} N3 15 1 1 {} {0.206716935282 0.497668588306 0.389718074101} H1 16 1 1 {} {0.226192230791 0.577128582049 0.355409835653} H2 17 1 1 {} {0.259337221303 0.542505107124 0.160856691123} H3 18 1 1 {} {0.265137784724 0.37310593613 0.348227333175} H4 19 1 1 {} {0.302008616274 0.377054819805 0.255704988271} H5 20 1 1 {} {0.24352222006 0.379031022866 0.237760343076} H6 21 1 1 {} {0.113578663496 0.461270164158 0.182477627946} H7 22 1 1 {} {0.124549202046 0.437334749505 0.294727961173} H8 23 1 1 {} {0.162495307233 0.415251813836 0.20892954045} H9 24 1 1 {} {0.177603397583 0.583727323165 0.112770378804} H10 25 1 1 {} {0.107887027198 0.583485182251 0.303325243225} H11 26 1 1 {} {0.380062155122 0.558468855095 0.275679612184} H12 27 1 1 {} {0.362626665179 0.597267641385 0.426520351774} H13 28 1 1 {} {0.476914012648 0.422605864546 0.418279319448} H14 29 1 1 {} {0.454970634228 0.455657082713 0.268134548084} H15 30 1 1 {} {0.346632115242 0.372245501072 0.449673684561} H16 31 1 1 {} {0.417557295399 0.387171521713 0.529059967961} H17 32 1 1 {} {0.317302046312 0.475688042975 0.5643514394} H18 33 1 1 {} {0.364922587423 0.489603471394 0.619343843664} H19 34 1 1 {} {0.496629385683 0.568020862008 0.326182207583} H20 35 1 1 {} {0.475010771946 0.576522488153 0.425120171635} H21 36 1 6 {} {0.642481564866 0.639847569196 0.481306687411} C4 37 1 14 {} {0.603825669277 0.576263381537 0.434387657637} Si6 38 1 14 {} {0.639555344949 0.726234082883 0.436491410325} Si7 39 1 8 {} {0.599504474887 0.584220265449 0.324696079791} O5 40 1 8 {} {0.622232051133 0.500881602259 0.457706127888} O6 41 1 6 {} {0.548571368606 0.583414267059 0.487909133294} C5 42 1 6 {} {0.591949777046 0.77662938353 0.481308550509} C6 43 1 8 {} {0.635173924146 0.715364287518 0.326045050166} O7 44 1 8 {} {0.687102729315 0.767625598235 0.452173025014} O8 45 1 14 {} {0.632708521694 0.422970721859 0.429974956181} Si8 46 1 7 {} {0.587369639198 0.370847516454 0.447920519046} N4 47 1 14 {} {0.567922934379 0.321547289777 0.359528286588} Si9 48 1 14 {} {0.562659220225 0.367550813793 0.554490313338} Si10 49 1 7 {} {0.598036373435 0.386328450957 0.641053999792} N5 50 1 7 {} {0.602768544641 0.258791009057 0.321916579528} N6 51 1 1 {} {0.637754855345 0.641007858143 0.554233495016} H22 52 1 1 {} {0.676345085477 0.621001494312 0.468970826421} H23 53 1 1 {} {0.612267877282 0.626140255339 0.302189783679} H24 54 1 1 {} {0.54674398254 0.572713262334 0.559428480778} H25 55 1 1 {} {0.529768818885 0.543063609984 0.456480980129} H26 56 1 1 {} {0.531848508736 0.631110366593 0.472869003706} H27 57 1 1 {} {0.591183883523 0.827053689616 0.451864569919} H28 58 1 1 {} {0.593983557657 0.782180912729 0.554254091012} H29 59 1 1 {} {0.559865117279 0.752542183373 0.466107060167} H30 60 1 1 {} {0.643227830883 0.752772602385 0.288118602767} H31 61 1 1 {} {0.687482717032 0.802634649022 0.496832819559} H32 62 1 1 {} {0.644219348392 0.418090170864 0.333187570734} H33 63 1 1 {} {0.671900114761 0.402825803468 0.484730295299} H34 64 1 1 {} {0.526117560881 0.289756613087 0.392403752291} H35 65 1 1 {} {0.559660743389 0.364505100018 0.280163756037} H36 66 1 1 {} {0.525536642179 0.417038715004 0.561356603742} H37 67 1 1 {} {0.545491117791 0.298083352427 0.566341782815} H38 68 1 1 {} {0.604447962846 0.434820157873 0.656482844685} H39 69 1 1 {} {0.624949326455 0.357270016869 0.654672783952} H40 70 1 1 {} {0.627451276791 0.270084557647 0.277859533208} H41 71 1 1 {} {0.612349421167 0.221132566903 0.363356584324} 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