./iterations/neb0_image04_iter294.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image04 @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 {} {0.46927991158 0.260750262776 0.490383180394} O1 1 1 14 {} {0.326498149347 0.232619844718 0.566460024082} Si1 2 1 14 {} {0.603191972677 0.346090921454 0.451014401233} Si2 3 1 8 {} {0.564944758551 0.505538981175 0.44175083264} O2 4 1 8 {} {0.281140314476 0.353706858958 0.665934888893} O3 5 1 14 {} {0.231758193969 0.507830253625 0.695938065929} Si3 6 1 14 {} {0.590434237803 0.66436419632 0.406704019083} Si4 7 1 1 {} {0.34385223247 0.111311593637 0.652230761079} H1 8 1 1 {} {0.224996174384 0.208907899823 0.457483304277} H2 9 1 1 {} {0.651518826868 0.296636556149 0.319353044399} H3 10 1 1 {} {0.706088480536 0.326659430027 0.556748658949} H4 11 1 1 {} {0.108905503972 0.500530236475 0.781044016128} H5 12 1 1 {} {0.342500297534 0.578184396025 0.767277510587} H6 13 1 1 {} {0.473533174591 0.743150525812 0.456123190539} H7 14 1 1 {} {0.603371240905 0.683166579082 0.258996473465} H8 15 1 1 {} {0.715644498289 0.710403603939 0.473802516632} H10 16 1 8 {} {0.199654577914 0.574756179632 0.548094659291} O 17 1 1 {} {0.172773373872 0.667909413216 0.54171881343} 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