#MD System 2.0 @Title neb0_image04 @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 {} {0.210409967774 0.527692979612 0.318526836908} C1 1 1 14 {} {0.26399859544 0.490347644386 0.276207937343} Si1 2 1 14 {} {0.163768256234 0.536250995663 0.237588237951} Si2 3 1 8 {} {0.2770601224 0.523925529246 0.178797452269} O1 4 1 8 {} {0.303839469021 0.510899063729 0.347733727543} O2 5 1 6 {} {0.262369004966 0.397246746105 0.269699004257} C2 6 1 6 {} {0.132090592926 0.456518719988 0.219691776066} C3 7 1 8 {} {0.188045054913 0.562322260656 0.143023639146} O3 8 1 8 {} {0.128108053264 0.597089666422 0.264481181411} O4 9 1 14 {} {0.355396843564 0.540012244892 0.352504639451} Si3 10 1 7 {} {0.390152755011 0.476749926576 0.394070779136} N1 11 1 14 {} {0.444520569284 0.47506595184 0.35229592407} Si4 12 1 14 {} {0.369944053353 0.42238750241 0.478035083288} Si5 13 1 7 {} {0.341047740186 0.461048350597 0.562249635321} N2 14 1 7 {} {0.466901848259 0.555136297719 0.358792328021} N3 15 1 1 {} {0.19878847187 0.499038849781 0.377100566484} H1 16 1 1 {} {0.218302161597 0.57872315714 0.342440242214} H2 17 1 1 {} {0.251346517455 0.543718929914 0.147912451163} H3 18 1 1 {} {0.257214037605 0.374625749098 0.335686693838} H4 19 1 1 {} {0.29412878863 0.378422839998 0.243049069182} H5 20 1 1 {} {0.235620831786 0.380409813658 0.225083274997} H6 21 1 1 {} {0.105516617752 0.462587897705 0.169470286267} H7 22 1 1 {} {0.116574306152 0.438754369522 0.28201098577} H8 23 1 1 {} {0.15463779276 0.416748146399 0.196089519889} H9 24 1 1 {} {0.169756177609 0.585126433129 0.100188263983} H10 25 1 1 {} {0.100063664268 0.585004956376 0.290480373432} H11 26 1 1 {} {0.371928394666 0.560198971351 0.261890150297} H12 27 1 1 {} {0.354748385647 0.598697719512 0.413919499179} H13 28 1 1 {} {0.469612369396 0.422610314667 0.406562813852} H14 29 1 1 {} {0.446419406384 0.457306583046 0.256371831655} H15 30 1 1 {} {0.338656954804 0.37354112083 0.437041930309} H16 31 1 1 {} {0.409528571471 0.388902425106 0.515996075428} H17 32 1 1 {} {0.309250992775 0.476823775303 0.551322748319} H18 33 1 1 {} {0.357237261897 0.490715561227 0.606211069978} H19 34 1 1 {} {0.490036751277 0.571011025951 0.311580501356} H20 35 1 1 {} {0.471369261222 0.57825195116 0.41781895721} H21 36 1 6 {} {0.65009013881 0.638697655684 0.494414263876} C4 37 1 14 {} {0.610589255987 0.574096229828 0.446655273459} Si6 38 1 14 {} {0.647578678269 0.725113180919 0.448944631802} Si7 39 1 8 {} {0.60796984599 0.582389176536 0.336724620297} O5 40 1 8 {} {0.630543113202 0.499516675866 0.470763612878} O6 41 1 6 {} {0.55356485641 0.58019617193 0.496672748803} C5 42 1 6 {} {0.600017855539 0.775142943415 0.493985458672} C6 43 1 8 {} {0.643199183095 0.713907130019 0.339001203327} O7 44 1 8 {} {0.694931252069 0.766416829134 0.464421711298} O8 45 1 14 {} {0.640845259792 0.421175445584 0.442502967458} Si8 46 1 7 {} {0.59530027837 0.36973768596 0.461025233644} N4 47 1 14 {} {0.57556465733 0.320551222737 0.372347462528} Si9 48 1 14 {} {0.570902862524 0.366364693025 0.567215241349} Si10 49 1 7 {} {0.605570658764 0.384845021016 0.653731031552} N5 50 1 7 {} {0.610716022676 0.25749762953 0.335087981915} N6 51 1 1 {} {0.646558111931 0.640258986524 0.567677532833} H22 52 1 1 {} {0.68399419737 0.619615429989 0.481834553891} H23 53 1 1 {} {0.620150249094 0.625189431245 0.315221036541} H24 54 1 1 {} {0.554310393548 0.570685147818 0.568764844027} H25 55 1 1 {} {0.530985620364 0.54287585596 0.467046010336} H26 56 1 1 {} {0.538636882672 0.630176422828 0.485333377818} H27 57 1 1 {} {0.599221243828 0.825466219407 0.464315822137} H28 58 1 1 {} {0.601968484551 0.780658307988 0.567101903741} H29 59 1 1 {} {0.56804519913 0.75073141429 0.478571605911} H30 60 1 1 {} {0.651176735247 0.75145281282 0.300880283824} H31 61 1 1 {} {0.695455221644 0.801793252553 0.510164641787} H32 62 1 1 {} {0.652269616826 0.416498827374 0.346176736603} H33 63 1 1 {} {0.679825152341 0.400694511211 0.497352722478} H34 64 1 1 {} {0.53409312566 0.288571070404 0.405193107458} H35 65 1 1 {} {0.567585550815 0.363229737652 0.292996995831} H36 66 1 1 {} {0.533232266683 0.415539592593 0.573426031794} H37 67 1 1 {} {0.553583816464 0.296448102755 0.578972559212} H38 68 1 1 {} {0.612457941671 0.433318071188 0.669360546537} H39 69 1 1 {} {0.632965726636 0.355985318709 0.667491084105} H40 70 1 1 {} {0.635313581601 0.26874015351 0.290447528851} H41 71 1 1 {} {0.620074172902 0.21981212829 0.376060275312} 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