./iterations/neb0_image09_iter56.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (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 14 {} {0.323681762472 0.770025602696 0.52726413503} Si1 1 1 7 {} {0.432949110212 0.62556741486 0.516977507414} N 2 1 14 {} {0.329110096212 0.305348809703 0.544758990916} Si2 3 1 9 {} {0.319110613834 0.851786306922 0.392229888077} F1 4 1 9 {} {0.386143867711 0.85310676715 0.646115090327} F2 5 1 9 {} {0.178083696456 0.719345712566 0.561161933026} F3 6 1 9 {} {0.252790114801 0.424401022639 0.615136272264} F4 7 1 9 {} {0.297395671699 0.172465798846 0.624308210328} F5 8 1 9 {} {0.55627163855 0.683585704685 0.474026801174} F7 9 1 9 {} {0.275770761539 0.285513706876 0.397669843554} F8 10 1 9 {} {0.38669877432 0.553759136921 0.401120097221} F9 11 1 9 {} {0.486397623596 0.327845800961 0.546501956791} 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 11 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 3 0 {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 9 11 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