#MD System 2.0 @Title neb0_image08 @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 {} {0.221352960478 0.525736388023 0.336170872768} C1 1 1 14 {} {0.275256536638 0.488735260341 0.294340196367} Si1 2 1 14 {} {0.17472432991 0.53421225222 0.255187860243} Si2 3 1 8 {} {0.287822375795 0.521596852741 0.196399001812} O1 4 1 8 {} {0.314897990895 0.509390290456 0.365403770457} O2 5 1 6 {} {0.273319012277 0.39552638423 0.287392130885} C2 6 1 6 {} {0.14312296743 0.454520047891 0.23741591316} C3 7 1 8 {} {0.199188597378 0.560299386323 0.160982847555} O3 8 1 8 {} {0.13931016282 0.595213348243 0.282248688257} O4 9 1 14 {} {0.366353424273 0.538173236639 0.369964391485} Si3 10 1 7 {} {0.400207146444 0.47403975947 0.411613894715} N1 11 1 14 {} {0.453551705727 0.472684493972 0.36596512221} Si4 12 1 14 {} {0.38065728844 0.42008226312 0.495568201011} Si5 13 1 7 {} {0.351746214912 0.458610218405 0.58101186977} N2 14 1 7 {} {0.46858955155 0.555907869627 0.362368631232} N3 15 1 1 {} {0.20973946545 0.49713035779 0.394626983933} H1 16 1 1 {} {0.229238241841 0.576558287452 0.36026854314} H2 17 1 1 {} {0.26234910001 0.541951532368 0.165706868153} H3 18 1 1 {} {0.268136235469 0.37248257294 0.353206262285} H4 19 1 1 {} {0.305031243214 0.376446570022 0.260616672155} H5 20 1 1 {} {0.246534937981 0.378490159671 0.24265271453} H6 21 1 1 {} {0.116597836388 0.460751059225 0.187372967732} H7 22 1 1 {} {0.127567759854 0.436829614757 0.299616334406} H8 23 1 1 {} {0.165483617454 0.414644451074 0.213830230362} H9 24 1 1 {} {0.180595316397 0.583190146757 0.117682937726} H10 25 1 1 {} {0.110905790507 0.582817301068 0.30828332047} H11 26 1 1 {} {0.382823774319 0.557791167508 0.280213838882} H12 27 1 1 {} {0.365707872733 0.596819151029 0.431614338911} H13 28 1 1 {} {0.479764146572 0.423717623007 0.421630243369} H14 29 1 1 {} {0.457304478747 0.451771698355 0.269590155714} H15 30 1 1 {} {0.349438296316 0.371207888291 0.454842881292} H16 31 1 1 {} {0.420633953265 0.386610389689 0.534006507149} H17 32 1 1 {} {0.320243464299 0.47519851874 0.569318264998} H18 33 1 1 {} {0.367913964918 0.489197502529 0.624533457841} H19 34 1 1 {} {0.497130464919 0.566123814177 0.327623679366} H20 35 1 1 {} {0.470199794105 0.577398015859 0.423795195499} H21 36 1 6 {} {0.641524382182 0.641486838398 0.476562661966} C4 37 1 14 {} {0.602483880843 0.577702415136 0.431949320419} Si6 38 1 14 {} {0.636850623216 0.727374211667 0.431334949035} Si7 39 1 8 {} {0.596068350432 0.585056901593 0.322090431937} O5 40 1 8 {} {0.619940752349 0.501308677087 0.45261575513} O6 41 1 6 {} {0.547942962787 0.58384769728 0.488446199748} C5 42 1 6 {} {0.58895665915 0.777101801318 0.476292064477} C6 43 1 8 {} {0.632366902708 0.715839649691 0.321048065121} O7 44 1 8 {} {0.684274208756 0.76867673396 0.447082239412} O8 45 1 14 {} {0.629836772885 0.423001803787 0.424827053076} Si8 46 1 7 {} {0.58434142166 0.371499326238 0.443474878649} N4 47 1 14 {} {0.564716705506 0.322088159949 0.354496583866} Si9 48 1 14 {} {0.559663661601 0.367938592309 0.549710036576} Si10 49 1 7 {} {0.595110482565 0.386802074844 0.636223743028} N5 50 1 7 {} {0.599707239011 0.259275755033 0.316946914674} N6 51 1 1 {} {0.634999403513 0.641480893136 0.548979069165} H22 52 1 1 {} {0.675399049968 0.6225058919 0.464465133763} H23 53 1 1 {} {0.608779637396 0.626462618599 0.297447538707} H24 54 1 1 {} {0.546599879188 0.575923167358 0.56116053264} H25 55 1 1 {} {0.531828231113 0.540642608667 0.456637702533} H26 56 1 1 {} {0.530007423237 0.63077223325 0.470105995741} H27 57 1 1 {} {0.588188096598 0.827528915838 0.446919175144} H28 58 1 1 {} {0.590974365071 0.782736771014 0.549230167353} H29 59 1 1 {} {0.556832834317 0.753101645098 0.461163513239} H30 60 1 1 {} {0.640163412347 0.753292696838 0.283077302466} H31 61 1 1 {} {0.684481920282 0.803383871019 0.491938651412} H32 62 1 1 {} {0.641198568858 0.418581072204 0.328228133159} H33 63 1 1 {} {0.668997622543 0.403232265657 0.479985696652} H34 64 1 1 {} {0.523052809158 0.290225974238 0.387576151987} H35 65 1 1 {} {0.556605475237 0.365100381307 0.275257180409} H36 66 1 1 {} {0.522741841115 0.417526880567 0.557266846028} H37 67 1 1 {} {0.542444558807 0.298600051255 0.561396413612} H38 68 1 1 {} {0.601379754777 0.435486829918 0.651649555106} H39 69 1 1 {} {0.622110415889 0.357659869561 0.649947389158} H40 70 1 1 {} {0.624369412399 0.270581870846 0.272969822349} H41 71 1 1 {} {0.609298119278 0.221619927205 0.358239469841} 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