./iterations/neb0_image03_iter73.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#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 {} {0.46799265392 0.233043156224 0.481475721493} O1 1 1 14 {} {0.330334686965 0.237403424972 0.571018502593} Si1 2 1 14 {} {0.589977294405 0.332876833221 0.433696652018} Si2 3 1 8 {} {0.528859355424 0.477102103653 0.387527558116} O2 4 1 8 {} {0.326911981913 0.369107000643 0.668600530725} O3 5 1 14 {} {0.272171315384 0.517803502779 0.709051298645} Si3 6 1 14 {} {0.529631656112 0.642090791653 0.388065191491} Si4 7 1 1 {} {0.327966450151 0.117892458328 0.659352594186} H1 8 1 1 {} {0.213676168247 0.239761954204 0.479043785183} H2 9 1 1 {} {0.657602046794 0.268674027617 0.317840624927} H3 10 1 1 {} {0.682334184385 0.352925320551 0.548680385423} H4 11 1 1 {} {0.12376067093 0.513909353873 0.721275900377} H5 12 1 1 {} {0.337207666486 0.560069491192 0.83640277652} H6 13 1 1 {} {0.392613110916 0.696605598953 0.368366482689} H7 14 1 1 {} {0.612069852112 0.688748032832 0.272703078625} H8 15 1 1 {} {0.593625320757 0.693028277671 0.513245319828} H10 16 1 8 {} {0.316377766775 0.617832535653 0.58454799912} O 17 1 1 {} {0.306973929879 0.713644089907 0.590163604943} 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