./iterations/neb0_image05_iter257.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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
8 {} {0.470803127261 0.261461857115 0.489855561264} O1 1 1
14 {} {0.324592676552 0.230849791752 0.558231124488} Si1 2 1
14 {} {0.60925725041 0.346241204994 0.472384349294} Si2 3 1
8 {} {0.589350055295 0.502823381742 0.519544158558} O2 4 1
8 {} {0.258146100042 0.365473086295 0.622427635311} O3 5 1
14 {} {0.235597727841 0.524932447785 0.657267034396} Si3 6 1
14 {} {0.577180775437 0.654647396884 0.456757042082} Si4 7 1
1 {} {0.340104202627 0.131040723128 0.668925776133} H1 8 1
1 {} {0.237839336622 0.181135737834 0.447611426747} H2 9 1
1 {} {0.647504741147 0.341961488153 0.328745025384} H3 10 1
1 {} {0.715093967709 0.28689337014 0.557558745488} H4 11 1
1 {} {0.135699595006 0.535457388218 0.766374548943} H5 12 1
1 {} {0.365051943795 0.587836201267 0.698875421584} H6 13 1
1 {} {0.522634115979 0.75025310929 0.558583955373} H7 14 1
1 {} {0.479852717201 0.651130171641 0.343155036516} H8 15 1
1 {} {0.709248709717 0.707325970462 0.412690363868} H10 16 1
8 {} {0.170307601414 0.602105108718 0.526939938986} O 17 1
1 {} {0.221821400872 0.610949667323 0.445131047123} 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