./iterations/neb0_image09_iter86.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image09 @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 {} {0.472329310591 0.213457352328 0.494932630614} O1 1 1 14 {} {0.335858031969 0.216381411789 0.586328636756} Si1 2 1 14 {} {0.603133613451 0.299458199756 0.444958167773} Si2 3 1 8 {} {0.560227984254 0.452005310607 0.401163203778} O2 4 1 8 {} {0.328301295873 0.35450265771 0.676001558189} O3 5 1 14 {} {0.296795909658 0.516000384432 0.669422593081} Si3 6 1 14 {} {0.506952092357 0.599313816946 0.450942319577} Si4 7 1 1 {} {0.339691411629 0.101873750453 0.680874797586} H1 8 1 1 {} {0.21826099243 0.2094243646 0.494955168574} H2 9 1 1 {} {0.659130030927 0.232570050633 0.324992586143} H3 10 1 1 {} {0.70180425822 0.305588849684 0.556643044984} H4 11 1 1 {} {0.150317722979 0.53803704801 0.656097031431} H5 12 1 1 {} {0.351343036483 0.575790442585 0.79416896599} H6 13 1 1 {} {0.323366639169 0.878902458721 0.414076913938} H7 14 1 1 {} {0.475821923249 0.678950407052 0.32971441892} H8 15 1 1 {} {0.611658444175 0.663622162894 0.535459068891} H10 16 1 8 {} {0.368441573366 0.584544351478 0.538543148704} O 17 1 1 {} {0.306651897185 0.85209492541 0.481783715692} 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 0 15 6 0 0 16 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 16 6 {0 0 0} 0 7 4 1 {0 0 0} 0 8 3 2 {0 0 0} 0 9 5 11 {0 0 0} 0 10 7 1 {0 0 0} 0 11 8 1 {0 0 0} 0 12 6 3 {0 0 0} 0 13 5 4 {0 0 0} 0 14 10 2 {0 0 0} 0 15 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