./iterations/neb0_image01_iter190.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image01 @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 {} {0.464495593749 0.255177111066 0.477237455311} O1 1 1 14 {} {0.327292218231 0.251171632992 0.567088349515} Si1 2 1 14 {} {0.597679194882 0.336376106475 0.42682011954} Si2 3 1 8 {} {0.556549582095 0.476832060981 0.352205852371} O2 4 1 8 {} {0.324727760366 0.37605705471 0.673774362575} O3 5 1 14 {} {0.255750743651 0.513092268058 0.733029583371} Si3 6 1 14 {} {0.53798263979 0.640111069534 0.361955784752} Si4 7 1 1 {} {0.327363046682 0.124147569005 0.644174589579} H1 8 1 1 {} {0.210410155542 0.259360684214 0.47509735469} H2 9 1 1 {} {0.666489519861 0.25011029506 0.327575414913} H3 10 1 1 {} {0.68410787259 0.367288253792 0.544364187624} H4 11 1 1 {} {0.109436498923 0.494219619391 0.75100150908} H5 12 1 1 {} {0.325736506622 0.541230485948 0.861455651472} H6 13 1 1 {} {0.401188577545 0.677965482415 0.317224003005} H7 14 1 1 {} {0.639834885174 0.707307348176 0.276416417024} H8 15 1 1 {} {0.556372695633 0.684988194445 0.504175685461} H10 16 1 8 {} {0.268364287799 0.639738487055 0.627724073412} O 17 1 1 {} {0.356304142484 0.677344113743 0.609737500634} 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 16 5 0 0 4 1 0 0 3 2 0 0 17 16 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 16 5 {0 0 0} 0 4 4 1 {0 0 0} 0 5 3 2 {0 0 0} 0 6 16 17 {0 0 0} 0 7 5 11 {0 0 0} 0 8 7 1 {0 0 0} 0 9 8 1 {0 0 0} 0 10 6 3 {0 0 0} 0 11 5 4 {0 0 0} 0 12 10 2 {0 0 0} 0 13 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