./iterations/neb0_image07_iter245.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image07 @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 {} {0.476190319708 0.221875905326 0.499236203208} O1 1 1 14 {} {0.335891557636 0.213613208055 0.583792443648} Si1 2 1 14 {} {0.615271404828 0.296292052577 0.454676673224} Si2 3 1 8 {} {0.590673567178 0.456133058619 0.42797405099} O2 4 1 8 {} {0.312207774074 0.350863253199 0.67070088509} O3 5 1 14 {} {0.291245751108 0.512078802865 0.646886060116} Si3 6 1 14 {} {0.497279255341 0.590352130999 0.430814479901} Si4 7 1 1 {} {0.342193454215 0.101119698678 0.679639087042} H1 8 1 1 {} {0.224763402197 0.195389868096 0.486129215323} H2 9 1 1 {} {0.659667378897 0.232810059557 0.328344003838} H3 10 1 1 {} {0.717366189806 0.284386541071 0.562130090136} H4 11 1 1 {} {0.147055698758 0.546465925858 0.646515272476} H5 12 1 1 {} {0.364952189472 0.579571999901 0.757033737898} H6 13 1 1 {} {0.339206895063 0.92851031654 0.503361326496} H7 14 1 1 {} {0.470695283822 0.634957625088 0.291867018886} H8 15 1 1 {} {0.564243919447 0.695053977214 0.512744103054} H10 16 1 8 {} {0.350464961051 0.556925337863 0.500634417404} O 17 1 1 {} {0.310716850112 0.876118065967 0.548578663662} 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