./iterations/neb0_image09_iter144.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image09 @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 {} {0.472151828625 0.216068769105 0.494512344216} O1 1 1 14 {} {0.334299050691 0.215933395251 0.583753679664} Si1 2 1 14 {} {0.604373336505 0.299312430186 0.44436441} Si2 3 1 8 {} {0.565634821888 0.45288328839 0.400121515786} O2 4 1 8 {} {0.325597653167 0.350797384181 0.677851070607} O3 5 1 14 {} {0.298499147743 0.513295710516 0.671999588956} Si3 6 1 14 {} {0.50907205711 0.598226556289 0.451726001636} Si4 7 1 1 {} {0.337150528358 0.0976086433138 0.673520566489} H1 8 1 1 {} {0.217843712305 0.212117709838 0.490498452557} H2 9 1 1 {} {0.65934882627 0.229605726322 0.325709745033} H3 10 1 1 {} {0.703011201819 0.304824728703 0.555623675441} H4 11 1 1 {} {0.153045444512 0.540516155988 0.656626422831} H5 12 1 1 {} {0.354220293253 0.571109022998 0.797148082339} H6 13 1 1 {} {0.321362321744 0.894470747685 0.419399235937} H7 14 1 1 {} {0.473246890154 0.677620451578 0.332021725782} H8 15 1 1 {} {0.612998624133 0.664463617579 0.534949189674} H10 16 1 8 {} {0.372559355285 0.58027861801 0.542280151554} O 17 1 1 {} {0.29567103859 0.853384985269 0.47895199336} 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 12 5 0 0 1 0 0 0 2 0 0 0 14 6 0 0 16 5 0 0 15 6 0 0 16 6 0 0 4 1 0 0 3 2 0 0 11 5 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 12 5 {0 0 0} 0 1 0 1 {0 0 0} 0 2 0 2 {0 0 0} 0 3 14 6 {0 0 0} 0 4 16 5 {0 0 0} 0 5 15 6 {0 0 0} 0 6 16 6 {0 0 0} 0 7 4 1 {0 0 0} 0 8 3 2 {0 0 0} 0 9 5 11 {0 0 0} 0 10 7 1 {0 0 0} 0 11 8 1 {0 0 0} 0 12 6 3 {0 0 0} 0 13 5 4 {0 0 0} 0 14 10 2 {0 0 0} 0 15 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