./iterations/neb0_image06_iter270.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image06 @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 {} {0.470745159606 0.248237428219 0.490144254554} O1 1 1 14 {} {0.325403543328 0.220513102164 0.561006960502} Si1 2 1 14 {} {0.607958342935 0.334598087423 0.469940769078} Si2 3 1 8 {} {0.583087340788 0.489017458897 0.521259810475} O2 4 1 8 {} {0.261935370353 0.353182949886 0.635101598434} O3 5 1 14 {} {0.276949213873 0.516122102359 0.654953890239} Si3 6 1 14 {} {0.493387202149 0.612560948259 0.458009205779} Si4 7 1 1 {} {0.339716851695 0.117647781689 0.667374605499} H1 8 1 1 {} {0.235663725695 0.177825933297 0.451477752331} H2 9 1 1 {} {0.641504988267 0.340179284888 0.323506451619} H3 10 1 1 {} {0.717391278037 0.277231656129 0.552954982228} H4 11 1 1 {} {0.144716944987 0.56034282852 0.712519030489} H5 12 1 1 {} {0.382048569562 0.562888249145 0.749721638491} H6 13 1 1 {} {0.397120191025 0.794188189909 0.504795345805} H7 14 1 1 {} {0.474877619709 0.616275394861 0.311149792803} H8 15 1 1 {} {0.59548008322 0.723833914666 0.478012738442} H10 16 1 8 {} {0.328150081592 0.575863770561 0.508465345478} O 17 1 1 {} {0.333949538154 0.752009043307 0.480664135703} 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