./iterations/neb0_image06_iter32.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image06 @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 {} {0.303794796742 0.769628252744 0.534179958218} Si1 1 1 7 {} {0.400801707017 0.613826572529 0.535500501257} N 2 1 14 {} {0.33930214848 0.35098602306 0.513820723356} Si2 3 1 9 {} {0.316292881768 0.848958735426 0.397365359177} F1 4 1 9 {} {0.384479632781 0.843376166905 0.647881344749} F2 5 1 9 {} {0.158075048593 0.736948884048 0.5761340413} F3 6 1 9 {} {0.23373494103 0.454485681659 0.587993083737} F4 7 1 9 {} {0.350930535514 0.244695053384 0.632777657068} F5 8 1 9 {} {0.523524848354 0.650336535654 0.490676327891} F7 9 1 9 {} {0.244879500685 0.296527585307 0.396750457768} F8 10 1 9 {} {0.428187006458 0.452593731965 0.411537816784} F9 11 1 9 {} {0.540400688792 0.310388562142 0.522653475698} 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