#MD System 2.0 @Title neb0_image09 @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 {} {0.225937292031 0.524484125038 0.347510923566} C1 1 1 14 {} {0.277983944203 0.486655342502 0.30627053818} Si1 2 1 14 {} {0.180704693559 0.53378189519 0.267071455666} Si2 3 1 8 {} {0.293898230523 0.515624011467 0.20780093653} O1 4 1 8 {} {0.309151556688 0.516953030917 0.390986932461} O2 5 1 6 {} {0.281131938156 0.393637509293 0.301297438771} C2 6 1 6 {} {0.150988623052 0.452957811486 0.249423091765} C3 7 1 8 {} {0.206637432123 0.561305623331 0.175328944514} O3 8 1 8 {} {0.145641036242 0.593823315375 0.296498713705} O4 9 1 14 {} {0.363098482022 0.530907775875 0.382303842721} Si3 10 1 7 {} {0.391241382309 0.454384086998 0.396938926897} N1 11 1 14 {} {0.437911870247 0.462083656707 0.318884395224} Si4 12 1 14 {} {0.383185112941 0.411830422776 0.503370660306} Si5 13 1 7 {} {0.359161204367 0.455985343255 0.589965903545} N2 14 1 7 {} {0.426028801908 0.53877261157 0.258187672948} N3 15 1 1 {} {0.217037949007 0.495680414496 0.407285924495} H1 16 1 1 {} {0.237612113251 0.573688955644 0.370603865782} H2 17 1 1 {} {0.270514148922 0.540973279121 0.176474696078} H3 18 1 1 {} {0.275924170933 0.370577609177 0.367165982646} H4 19 1 1 {} {0.313122006469 0.375219014945 0.274759386343} H5 20 1 1 {} {0.254718325085 0.375687937291 0.255810466641} H6 21 1 1 {} {0.124468457662 0.459053307748 0.199554559804} H7 22 1 1 {} {0.135667197106 0.43634361022 0.31237137101} H8 23 1 1 {} {0.173306758079 0.412683352572 0.226793756737} H9 24 1 1 {} {0.187896645489 0.582918658664 0.130740798248} H10 25 1 1 {} {0.117999799596 0.578852759443 0.324071502468} H11 26 1 1 {} {0.369212933193 0.555711794002 0.273868590052} H12 27 1 1 {} {0.375883457936 0.58573191965 0.439549916794} H13 28 1 1 {} {0.480234924071 0.46987304901 0.375363923075} H14 29 1 1 {} {0.439783845276 0.391979778688 0.256838495147} H15 30 1 1 {} {0.352705996325 0.357378775826 0.486993785969} H16 31 1 1 {} {0.425156753638 0.387745539391 0.541633324836} H17 32 1 1 {} {0.327844781392 0.473793687359 0.587123547113} H18 33 1 1 {} {0.375150287343 0.485410011329 0.635203572563} H19 34 1 1 {} {0.440339920979 0.580386110802 0.295101143905} H20 35 1 1 {} {0.363109267793 0.616599497409 0.274562343878} H21 36 1 6 {} {0.664652587413 0.64993327917 0.465249061904} C4 37 1 14 {} {0.616843312045 0.57930021804 0.446724079097} Si6 38 1 14 {} {0.640748450653 0.733754785677 0.41640869501} Si7 39 1 8 {} {0.579580091161 0.596185389508 0.365679433068} O5 40 1 8 {} {0.638595762674 0.501042779816 0.439550140625} O6 41 1 6 {} {0.583888765329 0.575909584078 0.554460157154} C5 42 1 6 {} {0.585672177838 0.773412324668 0.462512281514} C6 43 1 8 {} {0.629501179501 0.721512177233 0.308736322808} O7 44 1 8 {} {0.677954946785 0.795894760793 0.4231085738} O8 45 1 14 {} {0.628549880007 0.422541996242 0.413299815175} Si8 46 1 7 {} {0.578368101708 0.378279974389 0.433152577724} N4 47 1 14 {} {0.557669797273 0.325409874088 0.344488484813} Si9 48 1 14 {} {0.554893678843 0.368286815702 0.54023294504} Si10 49 1 7 {} {0.592015131053 0.385070419692 0.625595970259} N5 50 1 7 {} {0.591169071502 0.261507135692 0.303688899005} N6 51 1 1 {} {0.65998992297 0.656138077003 0.537790858498} H22 52 1 1 {} {0.701351525774 0.659500738567 0.473257068019} H23 53 1 1 {} {0.588774656084 0.622155532243 0.307550527986} H24 54 1 1 {} {0.596574312571 0.617506986469 0.598376731147} H25 55 1 1 {} {0.582524877527 0.531745481108 0.60476721772} H26 56 1 1 {} {0.547933746711 0.575373186472 0.529006874403} H27 57 1 1 {} {0.582678321445 0.823648132003 0.432544058289} H28 58 1 1 {} {0.584463331239 0.782345462968 0.534546299558} H29 59 1 1 {} {0.553301054329 0.75022634768 0.445919316147} H30 60 1 1 {} {0.631091311068 0.756182496999 0.263357111354} H31 61 1 1 {} {0.679830282023 0.817701663662 0.479864041708} H32 62 1 1 {} {0.633549599557 0.414668806151 0.315036730432} H33 63 1 1 {} {0.664586189576 0.392444792237 0.465160851951} H34 64 1 1 {} {0.515942981854 0.291296192693 0.375761841456} H35 65 1 1 {} {0.548443869416 0.367019759367 0.263869664997} H36 66 1 1 {} {0.519337850843 0.418000755706 0.561766649223} H37 67 1 1 {} {0.536081260104 0.298702091215 0.548850932165} H38 68 1 1 {} {0.59455947939 0.433216078854 0.643425739857} H39 69 1 1 {} {0.620412649737 0.358776119871 0.642251328113} H40 70 1 1 {} {0.6155260019 0.27175429865 0.258654105334} H41 71 1 1 {} {0.600230396988 0.221383075763 0.341451222574} 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