./iterations/neb0_image02_iter78.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image02 @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 {} {0.302458646599 0.744735714083 0.540621585906} Si1 1 1 7 {} {0.365053791617 0.583731512471 0.526581873653} N 2 1 14 {} {0.295467462738 0.42583460756 0.535043138008} Si2 3 1 9 {} {0.317591614724 0.822824520786 0.403084196924} F1 4 1 9 {} {0.383168455731 0.823820145673 0.652020064771} F2 5 1 9 {} {0.149093785046 0.739441790905 0.579884510959} F3 6 1 9 {} {0.160363441994 0.459765342763 0.610113445683} F4 7 1 9 {} {0.375112167775 0.320970724156 0.622744981482} F5 8 1 9 {} {0.505439703145 0.600367041124 0.500366482047} F7 9 1 9 {} {0.251167171013 0.362008038961 0.396187922778} F8 10 1 9 {} {0.504101408733 0.359172069122 0.398139444731} F9 11 1 9 {} {0.615386083654 0.33008029174 0.482483080131} 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 11 10 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 11 10 {0 0 0} 0 2 0 3 {0 0 0} 0 3 0 4 {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