#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 {} {0.200577920892 0.527600498591 0.306136227543} C1 1 1 14 {} {0.255931320166 0.4906280814 0.262641141405} Si1 2 1 14 {} {0.154535292579 0.537038990257 0.221867214751} Si2 3 1 8 {} {0.27042008753 0.54296849268 0.17681506423} O1 4 1 8 {} {0.308987227427 0.484840678342 0.325362161952} O2 5 1 6 {} {0.250882689433 0.400152670542 0.246256355096} C2 6 1 6 {} {0.11997677946 0.457946596432 0.2022141602} C3 7 1 8 {} {0.177678688369 0.554731853771 0.119202221365} O3 8 1 8 {} {0.11812820222 0.603212900542 0.234352719079} O4 9 1 14 {} {0.3638054709 0.551884375064 0.352775663344} Si3 10 1 7 {} {0.409739626867 0.502333201639 0.438883650343} N1 11 1 14 {} {0.493095591523 0.498004088632 0.473947288305} Si4 12 1 14 {} {0.366150351553 0.43368596673 0.478389697518} Si5 13 1 7 {} {0.329902763432 0.475481631727 0.548409389414} N2 14 1 7 {} {0.640249949797 0.548890385176 0.577025576529} N3 15 1 1 {} {0.186188499701 0.498610615773 0.362824141568} H1 16 1 1 {} {0.203548128804 0.581147094929 0.329639912857} H2 17 1 1 {} {0.239741921251 0.546612918506 0.139009146633} H3 18 1 1 {} {0.247310710191 0.380589868479 0.314635897474} H4 19 1 1 {} {0.283289165657 0.383878158193 0.220758162238} H5 20 1 1 {} {0.224869053072 0.38377332722 0.205664098125} H6 21 1 1 {} {0.0927648717545 0.462023239137 0.150761241276} H7 22 1 1 {} {0.104830311553 0.43547340798 0.264521145969} H8 23 1 1 {} {0.145041768025 0.420021495869 0.176349632813} H9 24 1 1 {} {0.16346737002 0.582719996076 0.082100186629} H10 25 1 1 {} {0.0909924865838 0.598575735394 0.263378256548} H11 26 1 1 {} {0.375317029185 0.564814627729 0.254053909815} H12 27 1 1 {} {0.336881989492 0.608999843366 0.400029248348} H13 28 1 1 {} {0.468382834079 0.300367728495 0.506542285947} H14 29 1 1 {} {0.484098448469 0.627354733715 0.330866993935} H15 30 1 1 {} {0.335954132451 0.398144761052 0.380223651926} H16 31 1 1 {} {0.406734901199 0.390238414309 0.49502888783} H17 32 1 1 {} {0.295226537603 0.476040186542 0.521681223995} H18 33 1 1 {} {0.356530040237 0.493140845962 0.588981742727} H19 34 1 1 {} {0.600300126842 0.566976381507 0.353979260348} H20 35 1 1 {} {0.711002085377 0.532424923155 0.8147661434} H21 36 1 6 {} {0.581674089344 0.648535267122 0.51185650953} C4 37 1 14 {} {0.570064580312 0.565498168695 0.404928275274} Si6 38 1 14 {} {0.630051900324 0.726878454151 0.463106252398} Si7 39 1 8 {} {0.650747631802 0.5553932736 0.240128388256} O5 40 1 8 {} {0.586411490014 0.488069323692 0.470855180445} O6 41 1 6 {} {0.46198390921 0.583801243018 0.310619450331} C5 42 1 6 {} {0.605688592393 0.77950138071 0.516188722937} C6 43 1 8 {} {0.651374899646 0.69834519637 0.359392248831} O7 44 1 8 {} {0.693602772485 0.703080698333 0.509813790666} O8 45 1 14 {} {0.640243125037 0.410011545776 0.458631141924} Si8 46 1 7 {} {0.599929541031 0.358203066677 0.472435616011} N4 47 1 14 {} {0.592987527468 0.318802095377 0.39783550679} Si9 48 1 14 {} {0.576037226701 0.375337222902 0.585772524367} Si10 49 1 7 {} {0.608191562389 0.387489843518 0.668922302234} N5 50 1 7 {} {0.624879738559 0.257928318815 0.360558760191} N6 51 1 1 {} {0.597710791452 0.618414626064 0.589977209006} H22 52 1 1 {} {0.597224207314 0.526579788838 0.433011826653} H23 53 1 1 {} {0.663401176139 0.644475434265 0.299298777092} H24 54 1 1 {} {0.420332591646 0.456299565753 0.409150514163} H25 55 1 1 {} {0.416258443571 0.616259832755 0.136598885686} H26 56 1 1 {} {0.500627771927 0.741667634519 0.376565322834} H27 57 1 1 {} {0.611092278812 0.824895197106 0.483009154135} H28 58 1 1 {} {0.611825574122 0.776873131852 0.589218939927} H29 59 1 1 {} {0.579227503884 0.746303227072 0.497738586785} H30 60 1 1 {} {0.664695437386 0.748594226864 0.345186355565} H31 61 1 1 {} {0.701981635198 0.775480728644 0.521968975019} H32 62 1 1 {} {0.663972005066 0.425227068321 0.36138453318} H33 63 1 1 {} {0.682607251914 0.417083518144 0.51022887012} H34 64 1 1 {} {0.546235153835 0.292445852359 0.423811746225} H35 65 1 1 {} {0.577998795893 0.361919955661 0.309893594461} H36 66 1 1 {} {0.539223485992 0.416069591036 0.559337233653} H37 67 1 1 {} {0.563427949542 0.29963998125 0.593983846412} H38 68 1 1 {} {0.622460770452 0.436071947282 0.679299276056} H39 69 1 1 {} {0.635188803864 0.350548220326 0.674833899079} H40 70 1 1 {} {0.649687275188 0.268460267291 0.317005711609} H41 71 1 1 {} {0.636096067045 0.225789928595 0.407187411503} 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