./iterations/neb0_image06_iter161.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image06 @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 {} {0.472239548289 0.229942649241 0.485123535052} O1 1 1 14 {} {0.331609906139 0.222465434094 0.568248385699} Si1 2 1 14 {} {0.609189021596 0.316290309749 0.451710977505} Si2 3 1 8 {} {0.568511337746 0.472561378216 0.443187877604} O2 4 1 8 {} {0.305159061359 0.354108555443 0.661739012171} O3 5 1 14 {} {0.283431995522 0.517344996018 0.658156492533} Si3 6 1 14 {} {0.486508751409 0.611912439575 0.445231864785} Si4 7 1 1 {} {0.336684712925 0.105986430959 0.660453100441} H1 8 1 1 {} {0.225291322028 0.208898519247 0.465939439922} H2 9 1 1 {} {0.662958035403 0.280929795023 0.316494281052} H3 10 1 1 {} {0.707729407885 0.298131145318 0.563689102434} H4 11 1 1 {} {0.141235143072 0.540292562941 0.698365283995} H5 12 1 1 {} {0.373512944084 0.584859319065 0.755663566462} H6 13 1 1 {} {0.394113738025 0.818412806615 0.51220806174} H7 14 1 1 {} {0.471272347283 0.6574044879 0.304451758891} H8 15 1 1 {} {0.57916404853 0.701535194507 0.520635959132} H10 16 1 8 {} {0.332266301053 0.573436174092 0.509021622502} O 17 1 1 {} {0.329208321173 0.778005634805 0.510737707875} 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