./iterations/neb0_image02_iter29.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#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 8 {} {0.468622676143 0.238563255361 0.47462238365} O1 1 1 14 {} {0.330151137045 0.245931036373 0.56165579551} Si1 2 1 14 {} {0.597115324739 0.331325336959 0.431939640162} Si2 3 1 8 {} {0.544167248346 0.476012701863 0.374030922867} O2 4 1 8 {} {0.333380444057 0.378097819977 0.66002237004} O3 5 1 14 {} {0.270451508861 0.518614702575 0.717508310111} Si3 6 1 14 {} {0.529275259346 0.640695672515 0.378394560879} Si4 7 1 1 {} {0.321266665312 0.122530811648 0.645147436716} H1 8 1 1 {} {0.214516240688 0.253749614903 0.467936434363} H2 9 1 1 {} {0.669491230919 0.252376784889 0.329447523373} H3 10 1 1 {} {0.68530033012 0.346731957207 0.55087018623} H4 11 1 1 {} {0.125184149027 0.498089969138 0.736554330704} H5 12 1 1 {} {0.341282693491 0.543094855989 0.846855520797} H6 13 1 1 {} {0.388196328101 0.682909988823 0.357226852498} H7 14 1 1 {} {0.609312866426 0.702631298753 0.268410836114} H8 15 1 1 {} {0.565801297342 0.686407293133 0.515407323628} H10 16 1 8 {} {0.281719470763 0.637834994493 0.60437834038} O 17 1 1 {} {0.334851276274 0.71691987039 0.610649220141} 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 2 15 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 4 1 {0 0 0} 0 7 3 2 {0 0 0} 0 8 5 11 {0 0 0} 0 9 7 1 {0 0 0} 0 10 8 1 {0 0 0} 0 11 6 3 {0 0 0} 0 12 5 4 {0 0 0} 0 13 10 2 {0 0 0} 0 14 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