./iterations/neb0_image08_iter272.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image08 @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 {} {0.473820200534 0.216287513509 0.493474883655} O1 1 1 14 {} {0.332877543558 0.216001627346 0.578462231372} Si1 2 1 14 {} {0.612762676236 0.29443332192 0.453498768391} Si2 3 1 8 {} {0.587543981327 0.454445031274 0.427569889939} O2 4 1 8 {} {0.315328567791 0.352132434066 0.669283807245} O3 5 1 14 {} {0.297949581927 0.515997696018 0.661198035224} Si3 6 1 14 {} {0.508105471115 0.596497775232 0.444476317279} Si4 7 1 1 {} {0.334806626409 0.100706700334 0.672744465612} H1 8 1 1 {} {0.221363358006 0.206682657256 0.479240362669} H2 9 1 1 {} {0.663537404974 0.234581183773 0.327141296645} H3 10 1 1 {} {0.710958591108 0.277743024847 0.564626028967} H4 11 1 1 {} {0.15364900664 0.550505115273 0.659139013675} H5 12 1 1 {} {0.367833631729 0.572565943107 0.779488218912} H6 13 1 1 {} {0.314689196243 0.917550496939 0.475306679996} H7 14 1 1 {} {0.475170703824 0.650768287881 0.310862100648} H8 15 1 1 {} {0.594626903629 0.688693811826 0.5219791352} H10 16 1 8 {} {0.364683742658 0.574400337932 0.522999250993} O 17 1 1 {} {0.28037898872 0.852524915191 0.489567268103} 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