./iterations/neb0_image07_iter48.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image07 @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 {} {0.307024620256 0.76404910557 0.531293486835} Si1 1 1 7 {} {0.417167084747 0.607884553725 0.533779708706} N 2 1 14 {} {0.349855561433 0.339172975699 0.522635736481} Si2 3 1 9 {} {0.314418635853 0.84278351143 0.395458966211} F1 4 1 9 {} {0.382540183873 0.83998636727 0.647546118489} F2 5 1 9 {} {0.156781373931 0.734040925889 0.571763004599} F3 6 1 9 {} {0.248109277699 0.451399076303 0.586929822949} F4 7 1 9 {} {0.335616299926 0.231831740173 0.639511601733} F5 8 1 9 {} {0.537148781449 0.661599147327 0.491982431721} F7 9 1 9 {} {0.261458180444 0.283944973393 0.401000905721} F8 10 1 9 {} {0.401990369279 0.497671985134 0.414114356616} F9 11 1 9 {} {0.512293379687 0.318387425303 0.511254611319} 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 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 0 3 {0 0 0} 0 2 0 4 {0 0 0} 0 3 5 0 {0 0 0} 0 4 6 2 {0 0 0} 0 5 8 1 {0 0 0} 0 6 7 2 {0 0 0} 0 7 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