#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 {} {0.223201087532 0.525948290238 0.338787769547} C1 1 1 14 {} {0.276363490626 0.488330263848 0.297204686356} Si1 2 1 14 {} {0.176837505536 0.534229105949 0.258300372032} Si2 3 1 8 {} {0.289128703065 0.516895552998 0.197009439095} O1 4 1 8 {} {0.314277163052 0.51326763478 0.369414651307} O2 5 1 6 {} {0.275679332338 0.394937651721 0.292114930918} C2 6 1 6 {} {0.145580804658 0.454392064758 0.241003112857} C3 7 1 8 {} {0.201228777767 0.56252325602 0.165819118669} O3 8 1 8 {} {0.141397274156 0.593238069048 0.288902283643} O4 9 1 14 {} {0.366595285383 0.538235770487 0.371092122029} Si3 10 1 7 {} {0.394000218644 0.466666560453 0.410958989318} N1 11 1 14 {} {0.437222196137 0.459885296686 0.32873103375} Si4 12 1 14 {} {0.380833090299 0.417351679933 0.501839349268} Si5 13 1 7 {} {0.352610345001 0.456837596937 0.587944552658} N2 14 1 7 {} {0.411634573351 0.572060785616 0.264706917047} N3 15 1 1 {} {0.212140279039 0.497043964017 0.397334177649} H1 16 1 1 {} {0.232326630668 0.57636544427 0.362680273164} H2 17 1 1 {} {0.264819783057 0.541669227535 0.167403543949} H3 18 1 1 {} {0.270295675906 0.370929874421 0.357022525986} H4 19 1 1 {} {0.307291610008 0.375242179434 0.265614293205} H5 20 1 1 {} {0.248919254129 0.378366633467 0.247078940552} H6 21 1 1 {} {0.119035695652 0.460970414845 0.190992132181} H7 22 1 1 {} {0.129838509723 0.437388373394 0.303583680635} H8 23 1 1 {} {0.167617264982 0.413883985433 0.218021610471} H9 24 1 1 {} {0.181851633318 0.58380769534 0.121129233298} H10 25 1 1 {} {0.112700610384 0.58004982824 0.314024239412} H11 26 1 1 {} {0.382376446704 0.556594962956 0.282946219399} H12 27 1 1 {} {0.369048344366 0.595615577873 0.435476631533} H13 28 1 1 {} {0.481606753188 0.445302945106 0.407882049407} H14 29 1 1 {} {0.452563612045 0.419875007014 0.24792012372} H15 30 1 1 {} {0.349988844175 0.366386231478 0.461764944109} H16 31 1 1 {} {0.422977532117 0.385978163628 0.536683890918} H17 32 1 1 {} {0.3220550343 0.475172629723 0.57370406748} H18 33 1 1 {} {0.368867444915 0.489313608109 0.628520342136} H19 34 1 1 {} {0.477713497352 0.553596030063 0.31165283664} H20 35 1 1 {} {0.388014783081 0.592523545789 0.332132065828} H21 36 1 6 {} {0.655470757672 0.646844991689 0.472838704023} C4 37 1 14 {} {0.619154366806 0.585199596233 0.447167036055} Si6 38 1 14 {} {0.637441448875 0.730326820263 0.425789198288} Si7 39 1 8 {} {0.584788793184 0.59068400445 0.342325596183} O5 40 1 8 {} {0.626102688134 0.501668415065 0.448749585144} O6 41 1 6 {} {0.581969375377 0.594526948248 0.552992649794} C5 42 1 6 {} {0.587188739507 0.776856378938 0.472783492667} C6 43 1 8 {} {0.630291703286 0.716422843957 0.316238810669} O7 44 1 8 {} {0.68321856749 0.776078057983 0.439779442035} O8 45 1 14 {} {0.629227748793 0.422207432532 0.423864795022} Si8 46 1 7 {} {0.582063776047 0.37098214136 0.437037925161} N4 47 1 14 {} {0.563227647701 0.322472426467 0.352117710599} Si9 48 1 14 {} {0.558525195236 0.367934283953 0.549921236747} Si10 49 1 7 {} {0.594603056843 0.386676169561 0.628615661102} N5 50 1 7 {} {0.596424312052 0.257457894415 0.309680809817} N6 51 1 1 {} {0.638310543948 0.642738551628 0.54210546553} H22 52 1 1 {} {0.690525019707 0.634666834499 0.465817068401} H23 53 1 1 {} {0.60153150435 0.622835491001 0.297765792004} H24 54 1 1 {} {0.575153176562 0.601150067615 0.62880105066} H25 55 1 1 {} {0.599149512458 0.512674365131 0.535489924247} H26 56 1 1 {} {0.542735925239 0.614200418782 0.493640244494} H27 57 1 1 {} {0.586183086767 0.827461688574 0.442697131279} H28 58 1 1 {} {0.588833282123 0.783550841353 0.545797891279} H29 59 1 1 {} {0.554541979237 0.754163197159 0.457723132301} H30 60 1 1 {} {0.637487352397 0.753054878631 0.276913908198} H31 61 1 1 {} {0.682600311945 0.806981154399 0.488736698705} H32 62 1 1 {} {0.638836466051 0.418690039431 0.323911714108} H33 63 1 1 {} {0.668179585431 0.402716394181 0.477538031954} H34 64 1 1 {} {0.521343720128 0.290685365535 0.384597534148} H35 65 1 1 {} {0.554551432427 0.365759311921 0.272752452834} H36 66 1 1 {} {0.521373918592 0.417666322159 0.562954728403} H37 67 1 1 {} {0.540438553256 0.297400288796 0.55866771} H38 68 1 1 {} {0.598641857124 0.434652848237 0.649347170574} H39 69 1 1 {} {0.621355424457 0.357975862046 0.648370070125} H40 70 1 1 {} {0.621457624831 0.270604092129 0.267796232003} H41 71 1 1 {} {0.606110263586 0.220460532984 0.351084166837} 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