#MD System 2.0 @Title neb0_image02 @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 {} {0.359988957655 0.551476821869 0.413668729345} C1 1 1 14 {} {0.336700518739 0.5248247246 0.524360688233} Si1 2 1 14 {} {0.421636668294 0.562290304507 0.409253693188} Si2 3 1 8 {} {0.349849169623 0.581572004366 0.600367620597} O1 4 1 8 {} {0.281706893214 0.522941390656 0.517419181852} O2 5 1 6 {} {0.355642332692 0.439611612178 0.559039639903} C2 6 1 6 {} {0.452882764428 0.482102700997 0.394577809386} C3 7 1 8 {} {0.434580202251 0.59729833167 0.508112847703} O3 8 1 8 {} {0.434672535945 0.613649294544 0.326141301891} O4 9 1 14 {} {0.231318773686 0.527554783263 0.558640138088} Si3 10 1 7 {} {0.211608719968 0.449462987966 0.592787244789} N1 11 1 14 {} {0.18915504872 0.441178780444 0.700239307528} Si4 12 1 14 {} {0.212172093982 0.381766128762 0.517754465659} Si5 13 1 7 {} {0.206113366966 0.403188836605 0.407410683612} N2 14 1 7 {} {0.138728628528 0.480226966856 0.720311380711} N3 15 1 1 {} {0.349973985831 0.515728444711 0.361348902391} H1 16 1 1 {} {0.344357389258 0.599830299335 0.396655547996} H2 17 1 1 {} {0.379717592022 0.600004447882 0.590744591504} H3 18 1 1 {} {0.346923835791 0.401041108276 0.509715945975} H4 19 1 1 {} {0.339936414797 0.425822286133 0.622759403044} H5 20 1 1 {} {0.391982615714 0.438406560163 0.569022029869} H6 21 1 1 {} {0.488970578732 0.491696572754 0.391415453961} H7 22 1 1 {} {0.443293685498 0.457813836159 0.331570704016} H8 23 1 1 {} {0.446761319186 0.446521340764 0.449067047339} H9 24 1 1 {} {0.465327855573 0.611907694246 0.514343007238} H10 25 1 1 {} {0.466645181848 0.616503576033 0.31479020582} H11 26 1 1 {} {0.229572103604 0.57177204605 0.638896789038} H12 27 1 1 {} {0.202439797405 0.555707964493 0.486984258502} H13 28 1 1 {} {0.182439618506 0.36809873328 0.714519055665} H14 29 1 1 {} {0.220695509767 0.470379689794 0.766267078478} H15 30 1 1 {} {0.255483418209 0.345276272883 0.523567381425} H16 31 1 1 {} {0.174599232367 0.337080639156 0.544319426409} H17 32 1 1 {} {0.233105778916 0.417619885014 0.371233046384} H18 33 1 1 {} {0.178074142022 0.426353230454 0.385095387606} H19 34 1 1 {} {0.13794861328 0.529813545108 0.735410833565} H20 35 1 1 {} {0.110679999161 0.466485771717 0.686826066889} H21 36 1 6 {} {0.630829160956 0.641204764888 0.349337932183} C4 37 1 14 {} {0.587743462632 0.578686999078 0.386735426122} Si6 38 1 14 {} {0.625185606141 0.72968086584 0.385811912357} Si7 39 1 8 {} {0.537462394951 0.61432503978 0.381321308798} O5 40 1 8 {} {0.588511180383 0.514199739226 0.319636853943} O6 41 1 6 {} {0.598791654689 0.546729509705 0.501627292778} C5 42 1 6 {} {0.643335348365 0.746743218581 0.503033872262} C6 43 1 8 {} {0.570333290215 0.744518556366 0.374271278104} O7 44 1 8 {} {0.653043012412 0.778988627784 0.316003698767} O8 45 1 14 {} {0.582110240621 0.453800554793 0.246728551596} Si8 46 1 7 {} {0.594605452383 0.3757385478 0.289717249686} N4 47 1 14 {} {0.550990180388 0.319399784485 0.31314335247} Si9 48 1 14 {} {0.649150446918 0.350388062222 0.314947793391} Si10 49 1 7 {} {0.690256249425 0.396486388959 0.263858044231} N5 50 1 7 {} {0.526969550746 0.276226509391 0.226332976847} N6 51 1 1 {} {0.664245207914 0.622862398741 0.368118324502} H22 52 1 1 {} {0.63009458404 0.641994765871 0.275663178008} H23 53 1 1 {} {0.539704357155 0.663375460923 0.376377450499} H24 54 1 1 {} {0.630911015759 0.520159519503 0.50430380914} H25 55 1 1 {} {0.572702400076 0.511178363155 0.52195478597} H26 56 1 1 {} {0.599714621896 0.58724205524 0.551231493406} H27 57 1 1 {} {0.638076418861 0.799516457815 0.521211949833} H28 58 1 1 {} {0.678928697946 0.735347403565 0.512412753164} H29 59 1 1 {} {0.62435881016 0.716189343418 0.550793812998} H30 60 1 1 {} {0.55990520681 0.790382709148 0.371423467545} H31 61 1 1 {} {0.670869133135 0.814755917553 0.341105403008} H32 62 1 1 {} {0.534456341034 0.451914776728 0.21799379608} H33 63 1 1 {} {0.611316640629 0.469885778654 0.16921003157} H34 64 1 1 {} {0.570950234471 0.268732755885 0.374411684096} H35 65 1 1 {} {0.514247251771 0.357404325593 0.356463663358} H36 66 1 1 {} {0.658447850369 0.356440740625 0.412456445227} H37 67 1 1 {} {0.652935914549 0.278960697764 0.28689082364} H38 68 1 1 {} {0.703431381979 0.437379055773 0.294139925768} H39 69 1 1 {} {0.693201018789 0.399553622084 0.196485894502} H40 70 1 1 {} {0.504914260359 0.299645778491 0.185335023578} H41 71 1 1 {} {0.544508404293 0.240887542052 0.192423467194} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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