./iterations/neb0_image08_iter202.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 {} {0.471397218797 0.226951548225 0.493169828302} O1 1 1
14 {} {0.330031360818 0.219605966535 0.576619253085} Si1 2 1
14 {} {0.612792458052 0.298438627701 0.45034002207} Si2 3 1
8 {} {0.590914424443 0.457391134673 0.414448682268} O2 4 1
8 {} {0.313525062306 0.348293706155 0.677937698828} O3 5 1
14 {} {0.300289083244 0.512596148199 0.671375897111} Si3 6 1
14 {} {0.512736201454 0.597294275938 0.449242769056} Si4 7 1
1 {} {0.331192012583 0.0964963627312 0.660204875499} H1 8 1
1 {} {0.218445402049 0.219862650801 0.477603921164} H2 9 1
1 {} {0.663699078299 0.231208929089 0.327960998395} H3 10 1
1 {} {0.708687867429 0.288932092555 0.563972422538} H4 11 1
1 {} {0.156904256514 0.551304264378 0.661038512368} H5 12 1
1 {} {0.364548118272 0.568189599404 0.793636798152} H6 13 1
1 {} {0.313098207762 0.902014608644 0.471043532992} H7 14 1
1 {} {0.471180492488 0.65842590325 0.320083941046} H8 15 1
1 {} {0.603436138301 0.685825089157 0.528322553486} H10 16 1
8 {} {0.376036896519 0.568428110302 0.537202337581} O 17 1
1 {} {0.271171979629 0.841258847774 0.456853710842} 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