./iterations/neb0_image08_iter57.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (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 14 {} {0.315703363506 0.761561481702 0.529748666054} Si1 1 1 7 {} {0.422793211682 0.613207000543 0.522688724707} N 2 1 14 {} {0.340144607946 0.32227042303 0.536860851991} Si2 3 1 9 {} {0.31557795353 0.840275984154 0.39300588432} F1 4 1 9 {} {0.383452145257 0.841544950301 0.648019204399} F2 5 1 9 {} {0.1665116142 0.723749708017 0.565223665704} F3 6 1 9 {} {0.257031850571 0.443897401197 0.598158084247} F4 7 1 9 {} {0.316418445934 0.205716991842 0.639999458451} F5 8 1 9 {} {0.548788139048 0.668244316469 0.487531037238} F7 9 1 9 {} {0.27358958631 0.280735078318 0.399520813225} F8 10 1 9 {} {0.386247916144 0.538116607273 0.403670664126} F9 11 1 9 {} {0.49814489917 0.333431840887 0.522843694888} F10 12 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 10 1 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 2 0 0 8 1 0 0 7 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 1 10 {0 0 0} 0 2 0 3 {0 0 0} 0 3 4 0 {0 0 0} 0 4 5 0 {0 0 0} 0 5 6 2 {0 0 0} 0 6 8 1 {0 0 0} 0 7 7 2 {0 0 0} 0 8 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