#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 {} {0.220136301613 0.526167842496 0.334045046431} C1 1 1 14 {} {0.273736650965 0.488908287848 0.292241844429} Si1 2 1 14 {} {0.173570051623 0.534596018615 0.253305701523} Si2 3 1 8 {} {0.286424844404 0.520264705782 0.193503529926} O1 4 1 8 {} {0.312860827462 0.511130144204 0.363803865018} O2 5 1 6 {} {0.272301240219 0.395647167955 0.286086930356} C2 6 1 6 {} {0.142144836228 0.454827579332 0.235679119158} C3 7 1 8 {} {0.197994405534 0.561446916294 0.159637692754} O3 8 1 8 {} {0.138146773256 0.594878706608 0.281665765846} O4 9 1 14 {} {0.36466056307 0.538409071791 0.367476945252} Si3 10 1 7 {} {0.396527061503 0.471950989413 0.408232014046} N1 11 1 14 {} {0.446290818677 0.468587992909 0.35036974209} Si4 12 1 14 {} {0.378950027988 0.419708536357 0.494665220363} Si5 13 1 7 {} {0.350262940314 0.458250043719 0.580254450595} N2 14 1 7 {} {0.448524797638 0.561463657738 0.328138355536} N3 15 1 1 {} {0.208733500968 0.497456765577 0.392553383691} H1 16 1 1 {} {0.228471455613 0.576838568241 0.358111014064} H2 17 1 1 {} {0.261377763289 0.542185790066 0.163289843985} H3 18 1 1 {} {0.267049694825 0.372279302284 0.351571911707} H4 19 1 1 {} {0.303981108658 0.376397119384 0.259390891096} H5 20 1 1 {} {0.245529817391 0.378794151964 0.241220828499} H6 21 1 1 {} {0.115606597605 0.461156123 0.185640098517} H7 22 1 1 {} {0.126524214064 0.437372412101 0.298019714604} H8 23 1 1 {} {0.164399366165 0.414724855954 0.212316374256} H9 24 1 1 {} {0.179189887874 0.583753984629 0.115912817938} H10 25 1 1 {} {0.109690293686 0.582173561679 0.307321363407} H11 26 1 1 {} {0.380871004589 0.557736116985 0.278215547978} H12 27 1 1 {} {0.36502957481 0.596756323302 0.429976704663} H13 28 1 1 {} {0.478644582229 0.431292994894 0.414153516187} H14 29 1 1 {} {0.453788249274 0.44145316769 0.260052929999} H15 30 1 1 {} {0.347744178821 0.369795743912 0.454251334322} H16 31 1 1 {} {0.419601186064 0.386679906714 0.532003529754} H17 32 1 1 {} {0.319032626967 0.475526257005 0.567881403469} H18 33 1 1 {} {0.366376669439 0.489539703254 0.622843332139} H19 34 1 1 {} {0.489501152452 0.562326897973 0.31933789567} H20 35 1 1 {} {0.442277559726 0.582774104634 0.391457730643} H21 36 1 6 {} {0.647792170697 0.64267207644 0.478235539727} C4 37 1 14 {} {0.609445146523 0.579615983264 0.439805974784} Si6 38 1 14 {} {0.638869271844 0.727960267743 0.432434848449} Si7 39 1 8 {} {0.594025823464 0.586697578044 0.331748640946} O5 40 1 8 {} {0.623937698286 0.501174244399 0.454336885683} O6 41 1 6 {} {0.560461960623 0.586930530394 0.511928046855} C5 42 1 6 {} {0.590165323847 0.776697260609 0.478120406776} C6 43 1 8 {} {0.633363624827 0.715759706607 0.322386329546} O7 44 1 8 {} {0.685730904852 0.77091314059 0.447441020081} O8 45 1 14 {} {0.631446129679 0.422621497702 0.4277192401} Si8 46 1 7 {} {0.585385942087 0.370913371431 0.443995177958} N4 47 1 14 {} {0.566157559033 0.321856118438 0.356787951476} Si9 48 1 14 {} {0.561088431855 0.36771321331 0.552716622512} Si10 49 1 7 {} {0.596801856982 0.386430013235 0.636591350477} N5 50 1 7 {} {0.600390877471 0.258354523016 0.317414889341} N6 51 1 1 {} {0.638084169845 0.641660062601 0.549702078604} H22 52 1 1 {} {0.682263564308 0.626371273527 0.46794369354} H23 53 1 1 {} {0.608150028924 0.624883965368 0.300524581579} H24 54 1 1 {} {0.557968814159 0.58404780418 0.585656780622} H25 55 1 1 {} {0.554496213859 0.531382803398 0.485423356089} H26 56 1 1 {} {0.535978710216 0.624654092977 0.481108188245} H27 57 1 1 {} {0.589338433298 0.827186325822 0.44845682496} H28 58 1 1 {} {0.592076051827 0.782692713169 0.551077811638} H29 59 1 1 {} {0.557869154083 0.753129845575 0.462983841126} H30 60 1 1 {} {0.641082265729 0.752883599973 0.283872846085} H31 61 1 1 {} {0.685666502155 0.804347709849 0.493867794169} H32 62 1 1 {} {0.642228258981 0.418274665422 0.329642183577} H33 63 1 1 {} {0.670563167371 0.402698235281 0.482090091423} H34 64 1 1 {} {0.524295265486 0.290029280138 0.389526655724} H35 65 1 1 {} {0.557749970075 0.365052817125 0.277208147312} H36 66 1 1 {} {0.524054053605 0.417184261239 0.561958209322} H37 67 1 1 {} {0.543615052941 0.297833718222 0.56344603921} H38 68 1 1 {} {0.602275344749 0.434887555255 0.653859181175} H39 69 1 1 {} {0.623674720349 0.357440210291 0.652345899368} H40 70 1 1 {} {0.625200363987 0.27021117818 0.274157328273} H41 71 1 1 {} {0.610032380932 0.220889760106 0.358665196995} 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