iterations/neb0_image08_iter142.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 {} {0.471116868847 0.224920640751 0.492409482621} O1 1 1
14 {} {0.330717810141 0.220491481436 0.576953517672} Si1 2 1
14 {} {0.608103018229 0.303611896876 0.447677990933} Si2 3 1
8 {} {0.579164265801 0.459928441156 0.406838583776} O2 4 1
8 {} {0.321580163934 0.349474697817 0.67959127268} O3 5 1
14 {} {0.301409232122 0.512205053095 0.6745231575} Si3 6 1
14 {} {0.510269426781 0.602249224927 0.452302258994} Si4 7 1
1 {} {0.327870123038 0.0956345646739 0.657200269256} H1 8 1
1 {} {0.216818212588 0.224870145681 0.480647722926} H2 9 1
1 {} {0.662261581453 0.232432666296 0.329600359694} H3 10 1
1 {} {0.703980214427 0.302035198989 0.561018818242} H4 11 1
1 {} {0.157668683801 0.545795576089 0.660227951392} H5 12 1
1 {} {0.361927777276 0.568287866431 0.79758282672} H6 13 1
1 {} {0.32690937174 0.878250604629 0.445488364526} H7 14 1
1 {} {0.465950253228 0.674517527682 0.331685337579} H8 15 1
1 {} {0.607613079023 0.68048048364 0.533041228662} H10 16 1
8 {} {0.37657587612 0.576170135171 0.542964114644} O 17 1
1 {} {0.280150253548 0.821161725175 0.46130460433} 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