#MD System 2.0 @Title neb0_image01 @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 {} {0.202497080056 0.529197119083 0.305653141033} C1 1 1 14 {} {0.256429962782 0.492207202585 0.263844218532} Si1 2 1 14 {} {0.155809559151 0.537675319926 0.224659703137} Si2 3 1 8 {} {0.269046114397 0.525354539447 0.166066731748} O1 4 1 8 {} {0.296432631195 0.512419409882 0.33476963603} O2 5 1 6 {} {0.254481273858 0.399023833108 0.256818597395} C2 6 1 6 {} {0.12427289068 0.457967925693 0.206921736844} C3 7 1 8 {} {0.18032078516 0.563455799626 0.130366439511} O3 8 1 8 {} {0.120480929842 0.598821600575 0.251607031926} O4 9 1 14 {} {0.347908126791 0.541402389747 0.339874655925} Si3 10 1 7 {} {0.382663872944 0.478509313697 0.38153189735} N1 11 1 14 {} {0.437098640454 0.4769276456 0.340702728203} Si4 12 1 14 {} {0.362278288703 0.424289349977 0.464298279213} Si5 13 1 7 {} {0.333136906533 0.462085509777 0.549713106593} N2 14 1 7 {} {0.459069752953 0.55664237639 0.346902821206} N3 15 1 1 {} {0.190895815876 0.500571297688 0.364133255492} H1 16 1 1 {} {0.21035112481 0.580025357094 0.32982963866} H2 17 1 1 {} {0.243504953019 0.545423148527 0.135290815634} H3 18 1 1 {} {0.249323973508 0.376037144017 0.322655522083} H4 19 1 1 {} {0.286196118297 0.379990713803 0.230055459403} H5 20 1 1 {} {0.227703672976 0.381917852734 0.212136089404} H6 21 1 1 {} {0.0977543232053 0.464156604069 0.156867123616} H7 22 1 1 {} {0.108739374625 0.440221171055 0.269106871753} H8 23 1 1 {} {0.146680030405 0.418165583431 0.183305402819} H9 24 1 1 {} {0.161827480608 0.586599963776 0.0871891330536} H10 25 1 1 {} {0.0920893189983 0.586461626236 0.277662821396} H11 26 1 1 {} {0.364292979553 0.561376174145 0.250022357218} H12 27 1 1 {} {0.34676947092 0.600233190417 0.400940814372} H13 28 1 1 {} {0.461087254701 0.424512342383 0.393263197193} H14 29 1 1 {} {0.439190745001 0.459616796261 0.243918312479} H15 30 1 1 {} {0.330787057013 0.375132520165 0.424059681395} H16 31 1 1 {} {0.401735618168 0.390037333349 0.50362162974} H17 32 1 1 {} {0.301518845373 0.478576899869 0.538798611045} H18 33 1 1 {} {0.349134786156 0.492491242062 0.593730452821} H19 34 1 1 {} {0.481924907288 0.571599040753 0.300880552466} H20 35 1 1 {} {0.464917951738 0.578824125855 0.406799836593} H21 36 1 6 {} {0.657677759055 0.636647119638 0.507020776957} C4 37 1 14 {} {0.618186923792 0.572807960679 0.459116372958} Si6 38 1 14 {} {0.655314461165 0.723275863409 0.462141182855} Si7 39 1 8 {} {0.615947018249 0.581067366718 0.349453960174} O5 40 1 8 {} {0.637917549849 0.498066738548 0.483422232226} O6 41 1 6 {} {0.561079803733 0.578930737293 0.508174847505} C5 42 1 6 {} {0.607743670823 0.773742399911 0.506890729181} C6 43 1 8 {} {0.651082915519 0.712514195273 0.351674969962} O7 44 1 8 {} {0.702914596417 0.764679924314 0.477817303154} O8 45 1 14 {} {0.648516962899 0.420192690913 0.455510070883} Si8 46 1 7 {} {0.60316658574 0.367997343115 0.473608119263} N4 47 1 14 {} {0.583603299457 0.318791802413 0.385104457079} Si9 48 1 14 {} {0.578507113863 0.36467376609 0.580084605678} Si10 49 1 7 {} {0.613693925002 0.383428850733 0.667069813543} N5 50 1 7 {} {0.618647100832 0.256102687282 0.347814836879} N6 51 1 1 {} {0.653560723111 0.638181751908 0.580098126059} H22 52 1 1 {} {0.691748735004 0.61787022 0.494569089287} H23 53 1 1 {} {0.628221453742 0.623440292301 0.327624315875} H24 54 1 1 {} {0.561231026577 0.568983317823 0.580326286011} H25 55 1 1 {} {0.539002158274 0.541993854498 0.47638859875} H26 56 1 1 {} {0.546648554216 0.628886691765 0.497324469548} H27 57 1 1 {} {0.606987384843 0.824177394896 0.477492364666} H28 58 1 1 {} {0.609800328255 0.779261161958 0.579836439727} H29 59 1 1 {} {0.57567960768 0.749580263336 0.491697107637} H30 60 1 1 {} {0.659065437961 0.749929467348 0.313727884016} H31 61 1 1 {} {0.703289276339 0.799696934624 0.522460606684} H32 62 1 1 {} {0.660047228159 0.415114057082 0.358753101953} H33 63 1 1 {} {0.687698507025 0.399781429814 0.510309536672} H34 64 1 1 {} {0.541836996508 0.286783188525 0.417961912245} H35 65 1 1 {} {0.575450092072 0.361634398236 0.305511701641} H36 66 1 1 {} {0.541296724452 0.414054139251 0.586298756561} H37 67 1 1 {} {0.561303331926 0.295236033229 0.591798278141} H38 68 1 1 {} {0.620285538812 0.432035630794 0.681983852031} H39 69 1 1 {} {0.640726366261 0.354345653468 0.680165220157} H40 70 1 1 {} {0.643256194852 0.267149606288 0.303539345669} H41 71 1 1 {} {0.628189888099 0.218298560811 0.389038550956} 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