#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 {} {0.469562840708 0.233266609225 0.47999965864} O1 1 1 14 {} {0.332044752538 0.240470772427 0.567842149435} Si1 2 1 14 {} {0.592986425435 0.331362494151 0.434215346041} Si2 3 1 8 {} {0.532907633002 0.476209895197 0.386123954018} O2 4 1 8 {} {0.332934419948 0.376660420667 0.65898547372} O3 5 1 14 {} {0.274918079218 0.521897917517 0.705551208523} Si3 6 1 14 {} {0.525991775268 0.642127239638 0.388812469074} Si4 7 1 1 {} {0.327060118092 0.120627800826 0.655687433605} H1 8 1 1 {} {0.215398361055 0.241257461383 0.4764400304} H2 9 1 1 {} {0.66286633226 0.254007520167 0.328814727392} H3 10 1 1 {} {0.686838474605 0.340291006306 0.548743940085} H4 11 1 1 {} {0.126962540874 0.512128044862 0.719149163318} H5 12 1 1 {} {0.340516936689 0.555275516947 0.835959851577} H6 13 1 1 {} {0.389587422866 0.70063186682 0.379792960962} H7 14 1 1 {} {0.594222001341 0.696028738606 0.267882191134} H8 15 1 1 {} {0.577541525557 0.684539221883 0.522030210987} H10 16 1 8 {} {0.311886616128 0.622811132476 0.585658397577} O 17 1 1 {} {0.315859866868 0.722924308442 0.589368819362} 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