#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 {} {0.209710765028 0.528441575689 0.313648257091} C1 1 1 14 {} {0.26239055322 0.488713577714 0.274503436184} Si1 2 1 14 {} {0.163551387477 0.535311180654 0.232830156368} Si2 3 1 8 {} {0.271589784138 0.509888508107 0.16770986981} O1 4 1 8 {} {0.304435967397 0.51125176117 0.338315120946} O2 5 1 6 {} {0.25940983948 0.396171715544 0.270520735587} C2 6 1 6 {} {0.13005963434 0.457439725474 0.215859154612} C3 7 1 8 {} {0.187663523073 0.563193050469 0.139316686803} O3 8 1 8 {} {0.129559018159 0.595040832438 0.269555028889} O4 9 1 14 {} {0.355166103512 0.542841144669 0.35395867017} Si3 10 1 7 {} {0.388523129141 0.47848462375 0.393847561291} N1 11 1 14 {} {0.438718331775 0.470392778863 0.337362018646} Si4 12 1 14 {} {0.368899361848 0.422261015001 0.475309729786} Si5 13 1 7 {} {0.337468670724 0.457377374138 0.560498775454} N2 14 1 7 {} {0.451766179061 0.555510852866 0.330048411135} N3 15 1 1 {} {0.197825320973 0.500278291088 0.371846620522} H1 16 1 1 {} {0.218864995849 0.579640032264 0.334557808262} H2 17 1 1 {} {0.250520817284 0.54426754655 0.140901920123} H3 18 1 1 {} {0.253718163812 0.369979430011 0.333225595784} H4 19 1 1 {} {0.290619086016 0.375175394513 0.244436298047} H5 20 1 1 {} {0.232749532862 0.381658088844 0.224413436699} H6 21 1 1 {} {0.104007702288 0.466509830314 0.165272107765} H7 22 1 1 {} {0.113506195493 0.442066343463 0.278520867165} H8 23 1 1 {} {0.15121155091 0.415598573823 0.193431319861} H9 24 1 1 {} {0.167153761912 0.586399064769 0.100024132534} H10 25 1 1 {} {0.0998811216861 0.581921830697 0.289356263923} H11 26 1 1 {} {0.371713435453 0.563538521964 0.268146474115} H12 27 1 1 {} {0.35276634658 0.598911522451 0.414289395546} H13 28 1 1 {} {0.466690809657 0.425710512299 0.394499221235} H14 29 1 1 {} {0.442360783565 0.448074804612 0.246023759331} H15 30 1 1 {} {0.338123709761 0.373909761375 0.432564542494} H16 31 1 1 {} {0.408685772183 0.387210429104 0.511064888039} H17 32 1 1 {} {0.306763591355 0.475809622634 0.546392982051} H18 33 1 1 {} {0.352702291086 0.493496084493 0.60216160181} H19 34 1 1 {} {0.487577169617 0.563790711684 0.307634843722} H20 35 1 1 {} {0.452494597731 0.579763166919 0.38899336056} H21 36 1 6 {} {0.655382921933 0.641391806827 0.495908750928} C4 37 1 14 {} {0.616603051796 0.577731328331 0.454987202129} Si6 38 1 14 {} {0.651078989008 0.726529563021 0.450056978333} Si7 39 1 8 {} {0.601170511761 0.586435507793 0.345886266709} O5 40 1 8 {} {0.638725671935 0.50324713012 0.474939184944} O6 41 1 6 {} {0.564627788957 0.581484948743 0.522131256525} C5 42 1 6 {} {0.602233513703 0.776475732269 0.495764040531} C6 43 1 8 {} {0.653731833866 0.711287051283 0.339556417179} O7 44 1 8 {} {0.697165703848 0.771155634741 0.468506179906} O8 45 1 14 {} {0.642906038233 0.423240098012 0.450193284664} Si8 46 1 7 {} {0.597470651224 0.370145155073 0.465594486526} N4 47 1 14 {} {0.578141011739 0.319842749014 0.377255057921} Si9 48 1 14 {} {0.568329011947 0.362996901142 0.563632030369} Si10 49 1 7 {} {0.613140951547 0.386781758394 0.659145448251} N5 50 1 7 {} {0.606946895601 0.259104539089 0.330666679149} N6 51 1 1 {} {0.649509819074 0.640292639153 0.568557488532} H22 52 1 1 {} {0.689905322224 0.62676943201 0.48326922033} H23 53 1 1 {} {0.620224443592 0.622849470359 0.316320775282} H24 54 1 1 {} {0.560152222497 0.578684783562 0.595974006332} H25 55 1 1 {} {0.552346870391 0.533086244346 0.489930388044} H26 56 1 1 {} {0.543795510216 0.6250148477 0.495681346754} H27 57 1 1 {} {0.600244679586 0.826933340616 0.465566784416} H28 58 1 1 {} {0.60372938522 0.782780175955 0.569360627623} H29 59 1 1 {} {0.569498009744 0.753230174494 0.482843931199} H30 60 1 1 {} {0.65405711154 0.752128216896 0.299081074718} H31 61 1 1 {} {0.696706244275 0.804261124357 0.512851889203} H32 62 1 1 {} {0.652980164801 0.417897328938 0.350884660171} H33 63 1 1 {} {0.682807813638 0.402935252845 0.504451235942} H34 64 1 1 {} {0.53469385625 0.292809966505 0.409789743515} H35 65 1 1 {} {0.568116577287 0.364950358852 0.298177418462} H36 66 1 1 {} {0.531903590374 0.41119922015 0.585240583545} H37 67 1 1 {} {0.557029999793 0.291282592865 0.585072925646} H38 68 1 1 {} {0.611067518411 0.431054892532 0.669653805019} H39 69 1 1 {} {0.631799499573 0.360124593806 0.672154566633} H40 70 1 1 {} {0.632966656088 0.269434151426 0.287798118917} H41 71 1 1 {} {0.61763957027 0.215703557569 0.37188264043} 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