#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 {} {0.224661917626 0.524676907121 0.343750839169} C1 1 1 14 {} {0.277293409481 0.486928193166 0.302452302789} Si1 2 1 14 {} {0.179041568591 0.533945479164 0.263734676239} Si2 3 1 8 {} {0.292001198431 0.517591024592 0.204327530772} O1 4 1 8 {} {0.310793481034 0.512249848131 0.383829126664} O2 5 1 6 {} {0.278504454572 0.394041618109 0.296755656071} C2 6 1 6 {} {0.148323152743 0.453676428524 0.245468701872} C3 7 1 8 {} {0.204125178909 0.561141718118 0.170356568001} O3 8 1 8 {} {0.14343648509 0.594195127394 0.292140808065} O4 9 1 14 {} {0.363726043669 0.534779264486 0.378255283066} Si3 10 1 7 {} {0.39514988264 0.462712182628 0.405633256379} N1 11 1 14 {} {0.444794826088 0.470168725198 0.338586651546} Si4 12 1 14 {} {0.382606073494 0.415298929304 0.502176455931} Si5 13 1 7 {} {0.356806535504 0.458293014841 0.58726945315} N2 14 1 7 {} {0.440064107296 0.557071075169 0.307715622707} N3 15 1 1 {} {0.214599344061 0.496178244564 0.403323836768} H1 16 1 1 {} {0.234897589392 0.574762663434 0.367432822149} H2 17 1 1 {} {0.26790885316 0.540962846505 0.173367677182} H3 18 1 1 {} {0.273352417623 0.371078994577 0.36250886803} H4 19 1 1 {} {0.31039641393 0.375513040715 0.270272188568} H5 20 1 1 {} {0.252129263974 0.376579851767 0.251752434973} H6 21 1 1 {} {0.1217941228 0.459653332425 0.195477032195} H7 22 1 1 {} {0.132979313709 0.436622085173 0.308325900028} H8 23 1 1 {} {0.170771065739 0.413545857236 0.222606426676} H9 24 1 1 {} {0.185633190634 0.582911715795 0.126487275307} H10 25 1 1 {} {0.115720915035 0.580236092706 0.318767876826} H11 26 1 1 {} {0.36810917195 0.553021254884 0.282875065072} H12 27 1 1 {} {0.372235556485 0.58986260135 0.437236549704} H13 28 1 1 {} {0.481512916602 0.454114361952 0.393684356024} H14 29 1 1 {} {0.446888100725 0.420159219609 0.266029882987} H15 30 1 1 {} {0.351820000522 0.362232741431 0.474218170742} H16 31 1 1 {} {0.424706664888 0.387312082482 0.539042634608} H17 32 1 1 {} {0.324702179553 0.473713417946 0.579265821853} H18 33 1 1 {} {0.373866772754 0.486658442563 0.631855349417} H19 34 1 1 {} {0.470951212587 0.577957114658 0.316805705216} H20 35 1 1 {} {0.423481625594 0.578509220138 0.317747500934} H21 36 1 6 {} {0.653298815264 0.650877512064 0.469551637454} C4 37 1 14 {} {0.612011543574 0.578667785352 0.441092687703} Si6 38 1 14 {} {0.637360854055 0.733527406287 0.420517742326} Si7 39 1 8 {} {0.585626485777 0.591919231329 0.34542337721} O5 40 1 8 {} {0.630227337561 0.500592459653 0.441835100799} O6 41 1 6 {} {0.566669640049 0.58101534345 0.528125198315} C5 42 1 6 {} {0.586589896973 0.774857390201 0.466896607357} C6 43 1 8 {} {0.630972961947 0.717908340965 0.312896700659} O7 44 1 8 {} {0.679350477983 0.782969631198 0.431906053622} O8 45 1 14 {} {0.628542630228 0.421296100826 0.417579017003} Si8 46 1 7 {} {0.579330394008 0.374956224024 0.434133790604} N4 47 1 14 {} {0.560147990136 0.325123587572 0.348815649042} Si9 48 1 14 {} {0.556197319914 0.3690004206 0.543806006122} Si10 49 1 7 {} {0.592358096849 0.386135826284 0.62899225963} N5 50 1 7 {} {0.593605558219 0.261157971818 0.308214683708} N6 51 1 1 {} {0.647941973501 0.650188334687 0.542306817183} H22 52 1 1 {} {0.688659586406 0.641522737128 0.464576044079} H23 53 1 1 {} {0.596428973954 0.623805873385 0.30243669477} H24 54 1 1 {} {0.57520955424 0.601547303029 0.585002305076} H25 55 1 1 {} {0.561260840276 0.532386217589 0.543658665202} H26 56 1 1 {} {0.539099207431 0.601354560538 0.504260851006} H27 57 1 1 {} {0.584786990011 0.824814573844 0.436881044239} H28 58 1 1 {} {0.586640503818 0.7825199053 0.539267950876} H29 59 1 1 {} {0.554818175541 0.750848782666 0.45066900914} H30 60 1 1 {} {0.634125703338 0.755126077985 0.271757281532} H31 61 1 1 {} {0.681068030877 0.812209551102 0.484152742944} H32 62 1 1 {} {0.636120666907 0.416383180273 0.318930304963} H33 63 1 1 {} {0.665855299883 0.395879960981 0.46994090987} H34 64 1 1 {} {0.51828028136 0.291640494511 0.379842532518} H35 65 1 1 {} {0.550854488073 0.366666017291 0.267151493127} H36 66 1 1 {} {0.519600060832 0.417423983836 0.556616593018} H37 67 1 1 {} {0.53798986918 0.298911602137 0.552207146253} H38 68 1 1 {} {0.596328154065 0.434109342017 0.645587715694} H39 69 1 1 {} {0.619513902612 0.358760011927 0.643159718658} H40 70 1 1 {} {0.618222279565 0.27156280151 0.262828800245} H41 71 1 1 {} {0.602798335952 0.221281710397 0.347250558635} 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