./iterations/neb0_image09_iter183.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 {} {0.471984091078 0.216447961772 0.494083823127} O1 1 1 14 {} {0.333565073832 0.215509831513 0.582337430947} Si1 2 1 14 {} {0.605499266949 0.298248598038 0.444500866865} Si2 3 1 8 {} {0.568035631443 0.452315273878 0.400987975284} O2 4 1 8 {} {0.323231843956 0.349296478868 0.677961591737} O3 5 1 14 {} {0.299201386676 0.511937435403 0.672927999159} Si3 6 1 14 {} {0.51044405128 0.597522430721 0.452162941898} Si4 7 1 1 {} {0.335761842317 0.097148580107 0.671525606336} H1 8 1 1 {} {0.218274857926 0.212762075534 0.488105504066} H2 9 1 1 {} {0.659497885161 0.229141605065 0.324792148747} H3 10 1 1 {} {0.704511427973 0.302305477146 0.55597048264} H4 11 1 1 {} {0.153971642925 0.540789432571 0.659184684337} H5 12 1 1 {} {0.35545112297 0.568322275289 0.798428411513} H6 13 1 1 {} {0.318915856153 0.904660541211 0.425606714017} H7 14 1 1 {} {0.474198935346 0.676132613802 0.331804658094} H8 15 1 1 {} {0.614793941016 0.665596369522 0.5338708646} H10 16 1 8 {} {0.374534661145 0.578228845733 0.542942430357} O 17 1 1 {} {0.288212587847 0.856152099428 0.473863579668} 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