#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 8 {} {0.459435126037 0.258435075993 0.493324951047} O1 1 1 14 {} {0.324747954563 0.234543179974 0.583166293436} Si1 2 1 14 {} {0.581534988583 0.348541041434 0.43277124356} Si2 3 1 8 {} {0.525975515354 0.491555926498 0.374841100322} O2 4 1 8 {} {0.309957362121 0.349650347848 0.699069201651} O3 5 1 14 {} {0.263131605796 0.504399223189 0.729179599127} Si3 6 1 14 {} {0.556359951471 0.654200979045 0.366358922095} Si4 7 1 1 {} {0.337551536278 0.101831471157 0.64831006575} H1 8 1 1 {} {0.20807047953 0.239699461958 0.492050130706} H2 9 1 1 {} {0.640987786032 0.273647035507 0.319436078276} H3 10 1 1 {} {0.683693792422 0.374274311714 0.538220328925} H4 11 1 1 {} {0.114369151491 0.517738874598 0.725461021443} H5 12 1 1 {} {0.321734713889 0.539469498235 0.861068461132} H6 13 1 1 {} {0.42742022975 0.72124841656 0.329122685499} H7 14 1 1 {} {0.660142041335 0.680590556959 0.259777721083} H8 15 1 1 {} {0.608291824766 0.709777695442 0.496253905031} H10 16 1 8 {} {0.324707168055 0.607104994422 0.612327139055} O 17 1 1 {} {0.261974967045 0.665809959745 0.57031895548} H14 18 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} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 14 6 0 0 16 5 0 2 15 6 0 0 4 1 0 0 3 2 0 0 7 1 0 0 8 1 0 0 6 3 0 0 5 4 0 0 10 2 0 0 9 2 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 0 1 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 6 {0 0 0} 0 3 16 5 {0 0 0} 0 4 15 6 {0 0 0} 0 5 4 1 {0 0 0} 0 6 3 2 {0 0 0} 0 7 7 1 {0 0 0} 0 8 8 1 {0 0 0} 0 9 6 3 {0 0 0} 0 10 5 4 {0 0 0} 0 11 10 2 {0 0 0} 0 12 9 2 {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