#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 {} {0.207750672853 0.52822052167 0.31404197331} C1 1 1 14 {} {0.261638883068 0.491160463188 0.272192445129} Si1 2 1 14 {} {0.161058371119 0.536699457294 0.23307850177} Si2 3 1 8 {} {0.274173068517 0.524046285736 0.174217542659} O1 4 1 8 {} {0.301629170739 0.511509132392 0.343075968647} O2 5 1 6 {} {0.259628552133 0.397988385286 0.265336407247} C2 6 1 6 {} {0.129458694994 0.457030484957 0.215287655672} C3 7 1 8 {} {0.185526897601 0.562552549434 0.138777416986} O3 8 1 8 {} {0.12573720751 0.597833569022 0.260168627796} O4 9 1 14 {} {0.353109851551 0.54047142776 0.34841271132} Si3 10 1 7 {} {0.387820768383 0.477517661877 0.39004592003} N1 11 1 14 {} {0.442152487986 0.475885293371 0.348727464536} Si4 12 1 14 {} {0.367441518198 0.423319609704 0.472798579762} Si5 13 1 7 {} {0.338290737121 0.46108474638 0.558196454277} N2 14 1 7 {} {0.463861216923 0.555801101687 0.354475061296} N3 15 1 1 {} {0.196096839348 0.499647619895 0.372518626538} H1 16 1 1 {} {0.215580225242 0.579086530736 0.338122789468} H2 17 1 1 {} {0.248703718724 0.544463988355 0.143611205558} H3 18 1 1 {} {0.254459469083 0.374962249007 0.331154297603} H4 19 1 1 {} {0.29135137341 0.378987292614 0.238540051222} H5 20 1 1 {} {0.232856158989 0.380999588475 0.220559370854} H6 21 1 1 {} {0.102947833789 0.463272681043 0.165231714204} H7 22 1 1 {} {0.113897690931 0.439340068046 0.277476719508} H8 23 1 1 {} {0.151830590084 0.417168055465 0.191703626966} H9 24 1 1 {} {0.166998769774 0.58567517143 0.0956393988994} H10 25 1 1 {} {0.0973256181198 0.585428832435 0.286092766251} H11 26 1 1 {} {0.369536941352 0.560528873471 0.2585482707} H12 27 1 1 {} {0.351954917297 0.599351031467 0.409523338252} H13 28 1 1 {} {0.466283285875 0.423586684462 0.401494246472} H14 29 1 1 {} {0.444300893375 0.458342076016 0.251946173929} H15 30 1 1 {} {0.336004564726 0.374169005444 0.432418231049} H16 31 1 1 {} {0.406942084739 0.389051689587 0.511954823634} H17 32 1 1 {} {0.306684655563 0.477574944203 0.547115031054} H18 33 1 1 {} {0.35427737879 0.491572185328 0.602088309521} H19 34 1 1 {} {0.487111865586 0.570422063357 0.309015942435} H20 35 1 1 {} {0.469498399619 0.57790203865 0.414545195767} H21 36 1 6 {} {0.652609681862 0.637706310404 0.498584860346} C4 37 1 14 {} {0.613149808592 0.573866159625 0.450899092424} Si6 38 1 14 {} {0.650188016474 0.724329017942 0.453714661277} Si7 39 1 8 {} {0.610480567358 0.582164366705 0.341245759921} O5 40 1 8 {} {0.63288967163 0.499111989035 0.475003583677} O6 41 1 6 {} {0.556184123535 0.579921633326 0.500452523812} C5 42 1 6 {} {0.602564617135 0.774729681142 0.498446216031} C6 43 1 8 {} {0.646077414252 0.71341534525 0.343216783527} O7 44 1 8 {} {0.697777842989 0.765706516694 0.469434228799} O8 45 1 14 {} {0.643336872741 0.421177411909 0.447151649799} Si8 46 1 7 {} {0.59800800589 0.369018834003 0.465397370126} N4 47 1 14 {} {0.578419111571 0.319717154259 0.376674134038} Si9 48 1 14 {} {0.57321358463 0.365554955128 0.571510282174} Si10 49 1 7 {} {0.608505957374 0.384416991747 0.658456841456} N5 50 1 7 {} {0.613347268588 0.257003437302 0.339238230082} N6 51 1 1 {} {0.648400702556 0.639144475851 0.571646116534} H22 52 1 1 {} {0.686680873968 0.618988232053 0.486118181221} H23 53 1 1 {} {0.622979440443 0.624328671048 0.319194397571} H24 54 1 1 {} {0.556225312601 0.570180467123 0.572624513755} H25 55 1 1 {} {0.53441438981 0.542637832373 0.468612749865} H26 56 1 1 {} {0.541582368587 0.629734659864 0.48915729673} H27 57 1 1 {} {0.601792318059 0.825151972955 0.469058212794} H28 58 1 1 {} {0.60461465843 0.780273773592 0.571387576313} H29 59 1 1 {} {0.570483405292 0.750582473726 0.483318828838} H30 60 1 1 {} {0.653888465945 0.750889313882 0.305233877167} H31 61 1 1 {} {0.698084664093 0.800736450341 0.514073003236} H32 62 1 1 {} {0.654825982613 0.416122353621 0.350443423573} H33 63 1 1 {} {0.682526479179 0.400811966497 0.501988133324} H34 64 1 1 {} {0.536622298713 0.287850578641 0.40962582994} H35 65 1 1 {} {0.570230648349 0.362643608266 0.297202153587} H36 66 1 1 {} {0.536038564736 0.414928155923 0.578158500854} H37 67 1 1 {} {0.556157821992 0.296086905804 0.583513778388} H38 68 1 1 {} {0.615041375281 0.433069073636 0.673599241511} H39 69 1 1 {} {0.63557465417 0.355301598642 0.671875423717} H40 70 1 1 {} {0.637958528207 0.268130684377 0.295018001447} H41 71 1 1 {} {0.622880997017 0.219216496144 0.380399792827} 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