./iterations/neb0_image03_iter18.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image03 @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 {} {0.309351596614 0.75182230854 0.539790167264} Si1 1 1 7 {} {0.368402799227 0.580902176776 0.525513970996} N 2 1 14 {} {0.306981064889 0.407549184362 0.533793791622} Si2 3 1 9 {} {0.316967302569 0.840461896173 0.406981757235} F1 4 1 9 {} {0.384401845705 0.841162429757 0.649034427072} F2 5 1 9 {} {0.156411839249 0.740777441702 0.581367336612} F3 6 1 9 {} {0.170850416477 0.444884898875 0.610696758125} F4 7 1 9 {} {0.354531585632 0.281063037551 0.627551541229} F5 8 1 9 {} {0.502763980974 0.624010936352 0.480211511317} F7 9 1 9 {} {0.262569729969 0.335066793568 0.400065699327} F8 10 1 9 {} {0.496213627999 0.39318711211 0.401955155876} F9 11 1 9 {} {0.594957941802 0.331863576229 0.490308627746} 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