iterations/neb0_image06_iter220.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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
8 {} {0.475192611848 0.228319001499 0.487263521225} O1 1 1
14 {} {0.330752585843 0.21715897959 0.564968218433} Si1 2 1
14 {} {0.607959876963 0.319633345032 0.459721901803} Si2 3 1
8 {} {0.574765550851 0.477902935677 0.475131259801} O2 4 1
8 {} {0.296370862362 0.35245258698 0.652171718364} O3 5 1
14 {} {0.284755898228 0.516248977144 0.652177641077} Si3 6 1
14 {} {0.488560073142 0.613198875593 0.44747705654} Si4 7 1
1 {} {0.334989142656 0.10605000074 0.662485538528} H1 8 1
1 {} {0.225200590523 0.195759694729 0.462740833163} H2 9 1
1 {} {0.652841691971 0.296710864084 0.320494718605} H3 10 1
1 {} {0.712374945115 0.292722122359 0.561067358604} H4 11 1
1 {} {0.145520845121 0.545708717288 0.697171854597} H5 12 1
1 {} {0.382049553079 0.576669729886 0.745867128896} H6 13 1
1 {} {0.389064115338 0.811419152364 0.526148083748} H7 14 1
1 {} {0.469706313449 0.651271052809 0.306002479768} H8 15 1
1 {} {0.588076673494 0.713854806154 0.500868045207} H10 16 1
8 {} {0.329776621089 0.576719874347 0.503820272565} O 17 1
1 {} {0.322127989638 0.780717195057 0.505480489616} H14 18 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
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 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 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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