./iterations/neb0_image08_iter208.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471424339986 0.226642693488 0.493205575061} O1 1 1
14 {} {0.330174280461 0.219446232144 0.576590348696} Si1 2 1
14 {} {0.613142018113 0.297982789658 0.450596831964} Si2 3 1
8 {} {0.592023534648 0.457058284821 0.415039970147} O2 4 1
8 {} {0.31325270113 0.348572759657 0.677705771572} O3 5 1
14 {} {0.3001194719 0.51263296636 0.671165673525} Si3 6 1
14 {} {0.512526809774 0.5969430472 0.449079748803} Si4 7 1
1 {} {0.331525652986 0.0967315207276 0.66053799447} H1 8 1
1 {} {0.218494237109 0.218915068729 0.477614460704} H2 9 1
1 {} {0.663565436116 0.230532012699 0.328099843596} H3 10 1
1 {} {0.709229439737 0.287817057889 0.564069690959} H4 11 1
1 {} {0.156965244356 0.55188471153 0.660504133329} H5 12 1
1 {} {0.364925623631 0.568455621485 0.793014009599} H6 13 1
1 {} {0.312038968105 0.903310821749 0.473413132838} H7 14 1
1 {} {0.471138555608 0.65733954269 0.319387784632} H8 15 1
1 {} {0.602714968823 0.686304903337 0.528195366072} H10 16 1
8 {} {0.375896906148 0.568854929166 0.536372822215} O 17 1
1 {} {0.270928073238 0.843092897287 0.456464588464} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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