#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 {} {0.202860270641 0.52914848601 0.304920010792} C1 1 1 14 {} {0.256499582267 0.491424905961 0.263168460449} Si1 2 1 14 {} {0.155932493939 0.537542714118 0.224455961817} Si2 3 1 8 {} {0.26880908375 0.523358491046 0.164481143016} O1 4 1 8 {} {0.296849321884 0.5117620483 0.333272480324} O2 5 1 6 {} {0.254205313979 0.39829356709 0.257058014304} C2 6 1 6 {} {0.124062461034 0.45811891942 0.207059701738} C3 7 1 8 {} {0.180006359417 0.563231055105 0.129772805343} O3 8 1 8 {} {0.120902333398 0.598523342502 0.253211276372} O4 9 1 14 {} {0.348122863909 0.541337278127 0.339720874387} Si3 10 1 7 {} {0.38300997656 0.47885725745 0.382100612107} N1 11 1 14 {} {0.437352233613 0.476699998122 0.341098342247} Si4 12 1 14 {} {0.362466309565 0.424216926161 0.464188918707} Si5 13 1 7 {} {0.332850218339 0.461476694676 0.54945322879} N2 14 1 7 {} {0.459848646925 0.556036638418 0.347711552989} N3 15 1 1 {} {0.191070299194 0.501185474248 0.36378422297} H1 16 1 1 {} {0.210701132172 0.5801051832 0.328513609631} H2 17 1 1 {} {0.243534165677 0.545010971174 0.134782319974} H3 18 1 1 {} {0.248905618815 0.375323738965 0.322871449775} H4 19 1 1 {} {0.285861352631 0.379017054177 0.230346324006} H5 20 1 1 {} {0.227414516713 0.381406900986 0.212251727848} H6 21 1 1 {} {0.097648960472 0.46480539758 0.156894106252} H7 22 1 1 {} {0.108304051238 0.440782397096 0.269233911891} H8 23 1 1 {} {0.146092259622 0.417840375035 0.183500329502} H9 24 1 1 {} {0.1614463653 0.586995490072 0.0871671431792} H10 25 1 1 {} {0.0922173751926 0.585444939089 0.278189075939} H11 26 1 1 {} {0.36481431119 0.561806456829 0.2504001999} H12 27 1 1 {} {0.346380016695 0.600019873851 0.400936522562} H13 28 1 1 {} {0.461043920976 0.423599340968 0.392995546988} H14 29 1 1 {} {0.439171699085 0.459682639002 0.244327527756} H15 30 1 1 {} {0.331134856228 0.375130860112 0.423204661096} H16 31 1 1 {} {0.401891582205 0.389879099854 0.503351879613} H17 32 1 1 {} {0.301255881057 0.477482681285 0.537763706769} H18 33 1 1 {} {0.348465283065 0.492699350345 0.593188058692} H19 34 1 1 {} {0.482459087656 0.571279467255 0.300939969667} H20 35 1 1 {} {0.465672940615 0.578563192644 0.40699114566} H21 36 1 6 {} {0.657748721181 0.637537457688 0.50718406165} C4 37 1 14 {} {0.618336439044 0.573135391726 0.460221482817} Si6 38 1 14 {} {0.655472655756 0.724143068687 0.461683045186} Si7 39 1 8 {} {0.615895936119 0.580940397228 0.350467577453} O5 40 1 8 {} {0.638555899988 0.498660100198 0.484727374188} O6 41 1 6 {} {0.561013909442 0.578773060107 0.509003519928} C5 42 1 6 {} {0.607598632263 0.774297737551 0.505980490969} C6 43 1 8 {} {0.652459215118 0.71230826689 0.351253039141} O7 44 1 8 {} {0.702589769267 0.766621471712 0.477537725823} O8 45 1 14 {} {0.648731667798 0.420667674029 0.45651313661} Si8 46 1 7 {} {0.603200133978 0.368526354646 0.473858029654} N4 47 1 14 {} {0.583427198272 0.319589541035 0.385217634524} Si9 48 1 14 {} {0.578512631639 0.363973165662 0.580209342485} Si10 49 1 7 {} {0.613328704131 0.383331351085 0.667442021967} N5 50 1 7 {} {0.618147299765 0.256648229053 0.347297953037} N6 51 1 1 {} {0.654016716511 0.639175866761 0.580349799556} H22 52 1 1 {} {0.691824068346 0.619033935084 0.493913398508} H23 53 1 1 {} {0.628384577775 0.622960578376 0.328085589342} H24 54 1 1 {} {0.56078253147 0.5694267117 0.581292358861} H25 55 1 1 {} {0.539130375577 0.54141807826 0.477529986827} H26 56 1 1 {} {0.546339885168 0.62845530259 0.497279504719} H27 57 1 1 {} {0.606709245414 0.824881189188 0.477153960087} H28 58 1 1 {} {0.610133173471 0.779647977074 0.578883779651} H29 59 1 1 {} {0.575387949352 0.750247391107 0.491831546451} H30 60 1 1 {} {0.659863805787 0.749930810332 0.313259677796} H31 61 1 1 {} {0.702952505239 0.800536664143 0.523431218323} H32 62 1 1 {} {0.660272548262 0.415607596577 0.359793812423} H33 63 1 1 {} {0.687781121494 0.399716495801 0.511288725219} H34 64 1 1 {} {0.541593614766 0.288054669185 0.418236287023} H35 65 1 1 {} {0.575385514136 0.362453065894 0.305539509147} H36 66 1 1 {} {0.540660211427 0.412269733282 0.586799830116} H37 67 1 1 {} {0.562062230443 0.294041449243 0.591430349841} H38 68 1 1 {} {0.619868255785 0.432300945084 0.681270834712} H39 69 1 1 {} {0.640591083937 0.35476720383 0.680697407335} H40 70 1 1 {} {0.642370774878 0.267228169762 0.30235791463} H41 71 1 1 {} {0.627285723466 0.217906848294 0.387479550969} 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