#MD System 2.0 @Title neb0_image04 @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 {} {0.363802562024 0.561079256989 0.412940381995} C1 1 1 14 {} {0.340550015299 0.534470608056 0.523376502285} Si1 2 1 14 {} {0.425353805127 0.571762477644 0.408533216777} Si2 3 1 8 {} {0.353658006872 0.591277955431 0.59952355579} O1 4 1 8 {} {0.285649270144 0.532669586558 0.516411043542} O2 5 1 6 {} {0.35943974839 0.449279756321 0.558237345343} C2 6 1 6 {} {0.456278170079 0.491159532728 0.393895553684} C3 7 1 8 {} {0.438318136949 0.606858750033 0.507325037672} O3 8 1 8 {} {0.438011538275 0.623612691456 0.325710915302} O4 9 1 14 {} {0.235190149119 0.537389979317 0.557715738787} Si3 10 1 7 {} {0.215467640197 0.459222136283 0.591954185298} N1 11 1 14 {} {0.19301748928 0.450865121548 0.699501759458} Si4 12 1 14 {} {0.216008033572 0.391453533355 0.516885660767} Si5 13 1 7 {} {0.20992269345 0.412630603816 0.406426502556} N2 14 1 7 {} {0.142558490029 0.489908231003 0.719693687256} N3 15 1 1 {} {0.353875460413 0.525390004722 0.36057468563} H1 16 1 1 {} {0.348310263268 0.609418330719 0.395869594832} H2 17 1 1 {} {0.383559207541 0.609611319689 0.589900640703} H3 18 1 1 {} {0.35074249699 0.410674905297 0.508900926783} H4 19 1 1 {} {0.343710287277 0.43545978258 0.621910202796} H5 20 1 1 {} {0.395755390137 0.448027121274 0.56820488152} H6 21 1 1 {} {0.492294044335 0.500892891301 0.390815534484} H7 22 1 1 {} {0.446813939866 0.466861180228 0.330699141038} H8 23 1 1 {} {0.450122252456 0.455599119101 0.448563340185} H9 24 1 1 {} {0.469198376513 0.620794555259 0.513553588751} H10 25 1 1 {} {0.46995124044 0.624134905825 0.313582723088} H11 26 1 1 {} {0.233457210772 0.581479945551 0.637952369962} H12 27 1 1 {} {0.206275886068 0.565418656024 0.486128718103} H13 28 1 1 {} {0.1863505927 0.377842943852 0.713681545828} H14 29 1 1 {} {0.224549048701 0.480085946253 0.765432139878} H15 30 1 1 {} {0.259260157554 0.354964987079 0.52270280672} H16 31 1 1 {} {0.17842805955 0.34692341492 0.543510087206} H17 32 1 1 {} {0.236936636616 0.427374513453 0.370474411324} H18 33 1 1 {} {0.181940375469 0.436147497694 0.384307995984} H19 34 1 1 {} {0.141816072603 0.539535396813 0.734562767198} H20 35 1 1 {} {0.114546449119 0.47616103619 0.686051545929} H21 36 1 6 {} {0.627183564195 0.631630004346 0.350080547959} C4 37 1 14 {} {0.58424542501 0.569123221285 0.387539190708} Si6 38 1 14 {} {0.621436638813 0.720027481315 0.386615165412} Si7 39 1 8 {} {0.534438732773 0.606415991441 0.38218336179} O5 40 1 8 {} {0.584617238572 0.504732937477 0.320359264267} O6 41 1 6 {} {0.594929356591 0.537108355967 0.502489468301} C5 42 1 6 {} {0.639512326929 0.737078772866 0.503818921551} C6 43 1 8 {} {0.566530129355 0.734843109322 0.375186029445} O7 44 1 8 {} {0.649087154081 0.769430032977 0.316732971883} O8 45 1 14 {} {0.578240198583 0.444058560512 0.247533408921} Si8 46 1 7 {} {0.590813724598 0.366178455467 0.29054058571} N4 47 1 14 {} {0.547122264304 0.309699734084 0.313823350021} Si9 48 1 14 {} {0.645285532087 0.340805644863 0.315765075616} Si10 49 1 7 {} {0.686375387252 0.386993913268 0.264598441306} N5 50 1 7 {} {0.523291389613 0.266697442275 0.227014906454} N6 51 1 1 {} {0.660546817154 0.613226063631 0.368817698539} H22 52 1 1 {} {0.626242002265 0.632314521856 0.276438183072} H23 53 1 1 {} {0.53731386239 0.655346164459 0.377730013092} H24 54 1 1 {} {0.62704176433 0.510510305935 0.505293899315} H25 55 1 1 {} {0.568762344745 0.501630021151 0.522713093738} H26 56 1 1 {} {0.595824630704 0.577669223418 0.552066763864} H27 57 1 1 {} {0.634242637723 0.789852206123 0.522009374959} H28 58 1 1 {} {0.675101230833 0.725661759165 0.513194475236} H29 59 1 1 {} {0.620522315412 0.706522519332 0.551568194074} H30 60 1 1 {} {0.556008147109 0.780656782058 0.37219802523} H31 61 1 1 {} {0.667021312548 0.805102021562 0.341792992589} H32 62 1 1 {} {0.530539021908 0.44221226722 0.218688150883} H33 63 1 1 {} {0.607475587525 0.460261843379 0.17002921311} H34 64 1 1 {} {0.567130979762 0.258981714688 0.375273106784} H35 65 1 1 {} {0.51030549233 0.347826665254 0.357350258346} H36 66 1 1 {} {0.654624658243 0.346863953096 0.413331903387} H37 67 1 1 {} {0.649193032852 0.269316690419 0.28763089597} H38 68 1 1 {} {0.699710342945 0.427749422749 0.294941594336} H39 69 1 1 {} {0.689362161241 0.389903390474 0.197225884531} H40 70 1 1 {} {0.501079249818 0.289811263264 0.186259889719} H41 71 1 1 {} {0.540646471969 0.231255105098 0.193206600504} 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