./iterations/neb0_image09_iter102.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 {} {0.471914138112 0.213998117275 0.494659753597} O1 1 1 14 {} {0.335492208921 0.21605911251 0.585835213561} Si1 2 1 14 {} {0.603203686636 0.299504913412 0.444828720998} Si2 3 1 8 {} {0.561403462269 0.452172498588 0.401014955202} O2 4 1 8 {} {0.327716403568 0.353802571156 0.676175009413} O3 5 1 14 {} {0.29685805862 0.515234462754 0.669984369393} Si3 6 1 14 {} {0.507259712773 0.599062286989 0.450856363313} Si4 7 1 1 {} {0.339328507483 0.101531341811 0.680065605418} H1 8 1 1 {} {0.218204050975 0.210079114248 0.494368363213} H2 9 1 1 {} {0.659052040767 0.232260502274 0.325015092849} H3 10 1 1 {} {0.701995222175 0.30633824924 0.556305611777} H4 11 1 1 {} {0.150317504989 0.538172177243 0.656661376627} H5 12 1 1 {} {0.351458292456 0.575329049622 0.794797661391} H6 13 1 1 {} {0.323082927045 0.880805846399 0.414596748674} H7 14 1 1 {} {0.476504222117 0.678714818037 0.329760045808} H8 15 1 1 {} {0.611735576901 0.663733660764 0.534881920713} H10 16 1 8 {} {0.369062262593 0.583473073309 0.539633355888} O 17 1 1 {} {0.305497892019 0.852246171242 0.481617795623} 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