./iterations/neb0_image06_iter284.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 {} {0.468183410805 0.258771686301 0.486466214225} O1 1 1 14 {} {0.321771122996 0.227840356417 0.557018335928} Si1 2 1 14 {} {0.60791737493 0.343778344926 0.47446738295} Si2 3 1 8 {} {0.588451964451 0.493840285388 0.542477815236} O2 4 1 8 {} {0.243413881415 0.353729352364 0.62979278068} O3 5 1 14 {} {0.270557296853 0.513252163019 0.660152980599} Si3 6 1 14 {} {0.494713193357 0.610705571269 0.469527803834} Si4 7 1 1 {} {0.343101164845 0.12974737574 0.665971171081} H1 8 1 1 {} {0.240125086315 0.172263809212 0.445413211485} H2 9 1 1 {} {0.636141670126 0.364504146925 0.329823440798} H3 10 1 1 {} {0.717977878492 0.274830405341 0.547322331836} H4 11 1 1 {} {0.145538997764 0.572443404532 0.716239165487} H5 12 1 1 {} {0.378093801204 0.544689727691 0.756569125098} H6 13 1 1 {} {0.409508783705 0.776414440086 0.481595108286} H7 14 1 1 {} {0.47270700242 0.601830728943 0.324390589182} H8 15 1 1 {} {0.597439030719 0.722776897784 0.469571664396} H10 16 1 8 {} {0.330940335 0.572402019706 0.520543619734} O 17 1 1 {} {0.343504117915 0.738697512652 0.453715654509} 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