./iterations/neb0_image08_iter41.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 {} {0.47082455658 0.217080598841 0.487929891883} O1 1 1 14 {} {0.33402742828 0.221428862645 0.578202585024} Si1 2 1 14 {} {0.600977430489 0.305623816519 0.44354079831} Si2 3 1 8 {} {0.553726131383 0.456898632835 0.400557973581} O2 4 1 8 {} {0.332335092366 0.356081586756 0.672179588697} O3 5 1 14 {} {0.297026679818 0.515813296321 0.673696511811} Si3 6 1 14 {} {0.503641725916 0.60452486879 0.452481450051} Si4 7 1 1 {} {0.334683181343 0.106450165981 0.669999125961} H1 8 1 1 {} {0.216862322287 0.22251262522 0.487362074007} H2 9 1 1 {} {0.661755259703 0.239933385173 0.326345363699} H3 10 1 1 {} {0.697778038759 0.319675724965 0.55501077871} H4 11 1 1 {} {0.149246773262 0.535110479817 0.671151778845} H5 12 1 1 {} {0.349529355263 0.572083011365 0.801426749019} H6 13 1 1 {} {0.332556974183 0.834888282371 0.415502923105} H7 14 1 1 {} {0.483704138503 0.680155697853 0.325991029515} H8 15 1 1 {} {0.606066749534 0.673308122505 0.540055854587} H10 16 1 8 {} {0.365105844674 0.588727160301 0.541781139585} O 17 1 1 {} {0.32023844398 0.822221650002 0.487842388711} 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