./iterations/neb0_image05_iter4.sci output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image05 @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 {} {0.312705738286 0.768511676178 0.535765459518} Si1 1 1 7 {} {0.393010605138 0.611682373059 0.520627526524} N 2 1 14 {} {0.308400037035 0.365338059391 0.53572007672} Si2 3 1 9 {} {0.316611293765 0.84992534887 0.401434702896} F1 4 1 9 {} {0.384528031266 0.849190438705 0.650858827983} F2 5 1 9 {} {0.16355628699 0.736184710225 0.577316684393} F3 6 1 9 {} {0.186837335336 0.433433671364 0.617319651536} F4 7 1 9 {} {0.330139087765 0.236779295448 0.634330278873} F5 8 1 9 {} {0.519444515216 0.642530838538 0.472773706528} F7 9 1 9 {} {0.271149865716 0.318400493657 0.39770736267} F8 10 1 9 {} {0.466518481101 0.436746722832 0.393985283161} F9 11 1 9 {} {0.57150245211 0.324028160406 0.509431180388} 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