./iterations/neb0_image06_iter19.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 {} {0.309012744978 0.769207917513 0.532534259502} Si1 1 1 7 {} {0.403279151833 0.609220840766 0.522930823947} N 2 1 14 {} {0.340242131797 0.356873991275 0.521561235222} Si2 3 1 9 {} {0.316719466406 0.852772418552 0.397819959028} F1 4 1 9 {} {0.384617560521 0.846393376485 0.648241572133} F2 5 1 9 {} {0.162556574298 0.735218744463 0.576409781037} F3 6 1 9 {} {0.218183970664 0.439442972677 0.600666950659} F4 7 1 9 {} {0.338293927035 0.237271184015 0.631279326335} F5 8 1 9 {} {0.526058213214 0.654695373342 0.485091400244} F7 9 1 9 {} {0.255570592253 0.305610737722 0.39571110033} F8 10 1 9 {} {0.433890974258 0.446946622052 0.413119279062} F9 11 1 9 {} {0.535978424363 0.319097612304 0.521905050885} 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