./iterations/neb0_image08_iter97.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 {} {0.47142547086 0.21895547081 0.489749403907} O1 1 1 14 {} {0.332721049386 0.220893512544 0.577864993702} Si1 2 1 14 {} {0.60303990401 0.307072262511 0.444685342921} Si2 3 1 8 {} {0.561121813058 0.45967560529 0.400365947307} O2 4 1 8 {} {0.328635476579 0.351769404986 0.678279997078} O3 5 1 14 {} {0.298728339453 0.513603203559 0.675852661381} Si3 6 1 14 {} {0.504776639009 0.604573710658 0.453453374798} Si4 7 1 1 {} {0.329640205611 0.0993701320879 0.662959610758} H1 8 1 1 {} {0.217543482515 0.226855702907 0.483239796804} H2 9 1 1 {} {0.663361765635 0.243905794036 0.32503405657} H3 10 1 1 {} {0.697622349159 0.313980033171 0.559745460055} H4 11 1 1 {} {0.152260329009 0.538231039327 0.665888009393} H5 12 1 1 {} {0.356405636009 0.570459566627 0.800590562877} H6 13 1 1 {} {0.332731968577 0.847742745588 0.418505648228} H7 14 1 1 {} {0.473595600846 0.683434444933 0.331892262426} H8 15 1 1 {} {0.608805338813 0.671437521568 0.537147863614} H10 16 1 8 {} {0.369024966201 0.584199675311 0.544407510501} O 17 1 1 {} {0.308645802851 0.816358156397 0.481395450736} 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