iterations/neb0_image08_iter256.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 {} {0.472723585394 0.221577917435 0.493773215377} O1 1 1
14 {} {0.331730925025 0.217232992751 0.577395605889} Si1 2 1
14 {} {0.613700007578 0.294768397506 0.452831675432} Si2 3 1
8 {} {0.589778712746 0.454659101927 0.424784293857} O2 4 1
8 {} {0.315284922717 0.350998159574 0.671410886304} O3 5 1
14 {} {0.299329118271 0.514359824792 0.664929656411} Si3 6 1
14 {} {0.50948683188 0.596159849505 0.445949827657} Si4 7 1
1 {} {0.333730386721 0.0991950353112 0.667130862332} H1 8 1
1 {} {0.220842591608 0.210579399994 0.478415852203} H2 9 1
1 {} {0.663346567991 0.231990993547 0.327763562228} H3 10 1
1 {} {0.711016867104 0.280095286056 0.564751557607} H4 11 1
1 {} {0.155755176958 0.552437134393 0.658290793705} H5 12 1
1 {} {0.367357549267 0.570264018048 0.785123575187} H6 13 1
1 {} {0.312835098007 0.91586231421 0.4750576292} H7 14 1
1 {} {0.473029871542 0.652138923303 0.31318147665} H8 15 1
1 {} {0.59675544127 0.687928200019 0.524744439747} H10 16 1
8 {} {0.368722150023 0.572007809104 0.527237105027} O 17 1
1 {} {0.274660417081 0.850262525614 0.478285717415} 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