#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 {} {0.208258783027 0.528111458849 0.313656087277} C1 1 1 14 {} {0.261769470997 0.490309298802 0.271880662129} Si1 2 1 14 {} {0.161420775404 0.536633484982 0.23313256057} Si2 3 1 8 {} {0.273909652899 0.52109366779 0.172446837118} O1 4 1 8 {} {0.302005547587 0.511929039795 0.342228372569} O2 5 1 6 {} {0.259503608176 0.397236583289 0.266417977454} C2 6 1 6 {} {0.129532978319 0.457254751188 0.215258937209} C3 7 1 8 {} {0.185646362771 0.562913383517 0.138801790193} O3 8 1 8 {} {0.126259301949 0.597589493177 0.261854832058} O4 9 1 14 {} {0.353203463702 0.540794932778 0.348840718452} Si3 10 1 7 {} {0.387774712503 0.477510448066 0.390184552009} N1 11 1 14 {} {0.441472728984 0.475098714675 0.346367837447} Si4 12 1 14 {} {0.367581930698 0.423077062404 0.472881351837} Si5 13 1 7 {} {0.338129469772 0.460503022955 0.558255046282} N2 14 1 7 {} {0.461849444946 0.555792891615 0.349152985389} N3 15 1 1 {} {0.196567909678 0.500082921154 0.372553126075} H1 16 1 1 {} {0.216135833135 0.579027330282 0.337288905031} H2 17 1 1 {} {0.248967133371 0.543664202483 0.143392034531} H3 18 1 1 {} {0.254029855986 0.374019340056 0.331979644946} H4 19 1 1 {} {0.291098494668 0.377865368761 0.239507368727} H5 20 1 1 {} {0.23268270282 0.380784782449 0.22127684323} H6 21 1 1 {} {0.103140921958 0.463973496166 0.165032757379} H7 22 1 1 {} {0.113690018172 0.439996224956 0.277389253518} H8 23 1 1 {} {0.151480638307 0.416832848589 0.19184130965} H9 24 1 1 {} {0.166934202594 0.586063313057 0.0960698859018} H10 25 1 1 {} {0.0977574417743 0.584566470622 0.286658675475} H11 26 1 1 {} {0.37002046395 0.561530612976 0.259673475347} H12 27 1 1 {} {0.351825885553 0.599035529648 0.410797552149} H13 28 1 1 {} {0.466451502868 0.423950114167 0.399422707934} H14 29 1 1 {} {0.443222445996 0.45542783006 0.250516334157} H15 30 1 1 {} {0.336238500463 0.373851302366 0.432523965574} H16 31 1 1 {} {0.407106372339 0.388830217798 0.511945415701} H17 32 1 1 {} {0.306661180324 0.476804630548 0.546555352989} H18 33 1 1 {} {0.353841901914 0.491816657893 0.601808327597} H19 34 1 1 {} {0.487161294147 0.568819622283 0.307569611967} H20 35 1 1 {} {0.465484329852 0.578947512688 0.409183533117} H21 36 1 6 {} {0.653750948313 0.638630244006 0.498374961776} C4 37 1 14 {} {0.6140406243 0.574446874968 0.452670137205} Si6 38 1 14 {} {0.650715517012 0.725162487281 0.453208837792} Si7 39 1 8 {} {0.608705276666 0.583001234989 0.343255506753} O5 40 1 8 {} {0.634135935943 0.499869267254 0.475220411841} O6 41 1 6 {} {0.557588025539 0.579782642736 0.504613354875} C5 42 1 6 {} {0.602623310038 0.775105810361 0.497457294107} C6 43 1 8 {} {0.647211965827 0.713258137079 0.342832543292} O7 44 1 8 {} {0.697875043745 0.767462449026 0.469577790559} O8 45 1 14 {} {0.643524067785 0.421592865388 0.447832032885} Si8 46 1 7 {} {0.597907910103 0.36945951916 0.465033667222} N4 47 1 14 {} {0.578067632376 0.320322380866 0.376772836239} Si9 48 1 14 {} {0.573082706593 0.365323052696 0.57167794656} Si10 49 1 7 {} {0.608556675515 0.384652851943 0.657442015726} N5 50 1 7 {} {0.612422247897 0.257146791415 0.337559197294} N6 51 1 1 {} {0.64934616397 0.639965110536 0.571391049844} H22 52 1 1 {} {0.688054406102 0.620711272312 0.485955654408} H23 53 1 1 {} {0.622294308343 0.623990619829 0.319278176631} H24 54 1 1 {} {0.558166891329 0.572116863985 0.577207560124} H25 55 1 1 {} {0.536789438826 0.540427473226 0.474779085419} H26 56 1 1 {} {0.541905796647 0.6282661395 0.49083137006} H27 57 1 1 {} {0.601611719393 0.825613217327 0.468387547015} H28 58 1 1 {} {0.60488327047 0.780709040224 0.570355646844} H29 59 1 1 {} {0.570488027462 0.750873473594 0.482957049403} H30 60 1 1 {} {0.654118720402 0.751042624634 0.304297209697} H31 61 1 1 {} {0.697935162366 0.801954522916 0.514439791385} H32 62 1 1 {} {0.654655691331 0.416229825113 0.350750058589} H33 63 1 1 {} {0.68260213922 0.400901635431 0.502511400404} H34 64 1 1 {} {0.536341260208 0.289052145947 0.41050990329} H35 65 1 1 {} {0.569915335925 0.363698692413 0.297520677747} H36 66 1 1 {} {0.535144591205 0.413579831256 0.579457171435} H37 67 1 1 {} {0.556413773192 0.295305547315 0.58388523169} H38 68 1 1 {} {0.614202993912 0.433726794836 0.673762209549} H39 69 1 1 {} {0.635361304528 0.355548783988 0.672033926167} H40 70 1 1 {} {0.636774906126 0.268209752846 0.29366359209} H41 71 1 1 {} {0.621646985271 0.218424126155 0.377958609827} 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