./iterations/neb0_image07_iter155.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image07 @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 {} {0.47145321293 0.241207955109 0.491698907882} O1 1 1 14 {} {0.332241112022 0.222310805116 0.577567842642} Si1 2 1 14 {} {0.615852423665 0.306923313234 0.451274222948} Si2 3 1 8 {} {0.59941557124 0.467545894574 0.419442157656} O2 4 1 8 {} {0.307978645688 0.348396495845 0.681087933925} O3 5 1 14 {} {0.291569040549 0.511246429675 0.65725251433} Si3 6 1 14 {} {0.496195020822 0.59538483386 0.440170528546} Si4 7 1 1 {} {0.340293068104 0.0998293116011 0.660847858136} H1 8 1 1 {} {0.220862990821 0.214944694439 0.478925570288} H2 9 1 1 {} {0.663961732437 0.235246319774 0.330260025571} H3 10 1 1 {} {0.711929467748 0.282711097397 0.563336349151} H4 11 1 1 {} {0.146420309984 0.548345026617 0.658083690776} H5 12 1 1 {} {0.370865691159 0.58716771512 0.759329071288} H6 13 1 1 {} {0.349205303358 0.88672795469 0.488385845142} H7 14 1 1 {} {0.449598732401 0.658379777122 0.313687620177} H8 15 1 1 {} {0.569284389444 0.690986288304 0.527711012055} H10 16 1 8 {} {0.353961254592 0.5471195626 0.509314771458} O 17 1 1 {} {0.318998025423 0.828044346862 0.522681925713} 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