./iterations/neb0_image09_iter254.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 {} {0.472443373663 0.214034136746 0.494631326893} O1 1 1 14 {} {0.333314567226 0.214773748595 0.58162382731} Si1 2 1 14 {} {0.606726149578 0.295021142669 0.446049982212} Si2 3 1 8 {} {0.57050209557 0.450284808274 0.40711452952} O2 4 1 8 {} {0.322767243075 0.350379751676 0.674490914553} O3 5 1 14 {} {0.300600818411 0.513105570867 0.672139559627} Si3 6 1 14 {} {0.511904137675 0.597079444073 0.452487305645} Si4 7 1 1 {} {0.334071193897 0.0977279206564 0.672684432225} H1 8 1 1 {} {0.219156220262 0.210121570362 0.486138516689} H2 9 1 1 {} {0.658877169342 0.228488357142 0.324047322038} H3 10 1 1 {} {0.706346154117 0.293665813759 0.556941278209} H4 11 1 1 {} {0.155901633328 0.544567534167 0.659574248749} H5 12 1 1 {} {0.359253376721 0.566929806267 0.797736720928} H6 13 1 1 {} {0.314505754807 0.917172658666 0.434889430484} H7 14 1 1 {} {0.47564734164 0.672428601327 0.329803602892} H8 15 1 1 {} {0.615166716651 0.667366958041 0.533825655462} H10 16 1 8 {} {0.375091655215 0.580355128325 0.541655031841} O 17 1 1 {} {0.277810558391 0.859014976614 0.465223959616} 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