./iterations/neb0_image08_iter100.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image08 @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 {} {0.471401477894 0.21929912895 0.489764253938} O1 1 1 14 {} {0.33264921014 0.220735673416 0.577733403976} Si1 2 1 14 {} {0.603001417686 0.307093708985 0.444745763695} Si2 3 1 8 {} {0.561499556069 0.459628578305 0.400892565295} O2 4 1 8 {} {0.328381448724 0.351669539371 0.678061430233} O3 5 1 14 {} {0.299017849982 0.51346681436 0.675679184914} Si3 6 1 14 {} {0.50509372959 0.604588663683 0.453374242233} Si4 7 1 1 {} {0.329449982896 0.0993148748247 0.662650880117} H1 8 1 1 {} {0.217624115023 0.22705109098 0.483328005783} H2 9 1 1 {} {0.663339231222 0.243653935164 0.32510122226} H3 10 1 1 {} {0.697707327352 0.314013728119 0.559689237418} H4 11 1 1 {} {0.152445905089 0.538440291797 0.66577842707} H5 12 1 1 {} {0.356550851477 0.570430429634 0.800640297064} H6 13 1 1 {} {0.33287657134 0.848813327118 0.418605201153} H7 14 1 1 {} {0.473481636029 0.683145828895 0.332145516737} H8 15 1 1 {} {0.608715886879 0.671595108046 0.536899834676} H10 16 1 8 {} {0.369374141194 0.583530864955 0.54474579021} O 17 1 1 {} {0.307475802288 0.816046393734 0.481222696945} 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 2 15 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 4 1 {0 0 0} 0 7 3 2 {0 0 0} 0 8 5 11 {0 0 0} 0 9 7 1 {0 0 0} 0 10 8 1 {0 0 0} 0 11 6 3 {0 0 0} 0 12 5 4 {0 0 0} 0 13 10 2 {0 0 0} 0 14 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