./iterations/neb0_image08_iter199.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 {} {0.471293407313 0.22702000864 0.493326667019} O1 1 1
14 {} {0.330086467265 0.219539747814 0.576613706398} Si1 2 1
14 {} {0.613058069058 0.298529104448 0.450288687655} Si2 3 1
8 {} {0.591349087479 0.457089790616 0.414679528608} O2 4 1
8 {} {0.313374313801 0.348479986613 0.677869886767} O3 5 1
14 {} {0.300064414759 0.512301804232 0.671715132016} Si3 6 1
14 {} {0.512501619114 0.59724906235 0.449131639941} Si4 7 1
1 {} {0.33121011015 0.0962525385379 0.66026668716} H1 8 1
1 {} {0.218439869467 0.219785729147 0.477392747655} H2 9 1
1 {} {0.663801730209 0.23127025198 0.327894410907} H3 10 1
1 {} {0.70865289836 0.288565277941 0.564024507229} H4 11 1
1 {} {0.156742092239 0.551448853018 0.661022490706} H5 12 1
1 {} {0.364766291855 0.568160133525 0.793634628989} H6 13 1
1 {} {0.312542205706 0.902389552518 0.472685294167} H7 14 1
1 {} {0.47125040778 0.657986013215 0.319771984735} H8 15 1
1 {} {0.603329440268 0.685937287274 0.528343517873} H10 16 1
8 {} {0.376468470087 0.568519796296 0.536564769515} O 17 1
1 {} {0.271155363723 0.841992925712 0.455831462548} 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