./iterations/neb0_image07_iter56.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 {} {0.307402604866 0.762759660603 0.532262961432} Si1 1 1 7 {} {0.41984930408 0.608914704164 0.534636329973} N 2 1 14 {} {0.348517285096 0.337877610228 0.522772801961} Si2 3 1 9 {} {0.314278190383 0.840997797461 0.396484163498} F1 4 1 9 {} {0.379064008966 0.842644048466 0.648167038409} F2 5 1 9 {} {0.157785416011 0.735649807774 0.571371271316} F3 6 1 9 {} {0.246477247385 0.449633906295 0.58723459338} F4 7 1 9 {} {0.33655971984 0.232113620612 0.6407175596} F5 8 1 9 {} {0.538482476809 0.664563279597 0.492483069549} F7 9 1 9 {} {0.261756938991 0.280922605593 0.400887391237} F8 10 1 9 {} {0.401374105599 0.499984947849 0.414010159999} F9 11 1 9 {} {0.512856449455 0.316689798632 0.506243415832} 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