iterations/neb0_image08_iter220.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 {} {0.471695326961 0.225652253972 0.49310877827} O1 1 1
14 {} {0.330706462611 0.219288281653 0.576581171949} Si1 2 1
14 {} {0.61312553021 0.297853951776 0.45086438949} Si2 3 1
8 {} {0.591365649522 0.456854975726 0.416438715438} O2 4 1
8 {} {0.313619071009 0.349003034311 0.676908410458} O3 5 1
14 {} {0.300481596052 0.513035976689 0.669718458549} Si3 6 1
14 {} {0.511878052687 0.597084044808 0.448701310355} Si4 7 1
1 {} {0.331610024276 0.0972919195918 0.661060783355} H1 8 1
1 {} {0.219027396791 0.217199728151 0.478233367873} H2 9 1
1 {} {0.663164782724 0.230293153981 0.328504800635} H3 10 1
1 {} {0.709661571456 0.286608268948 0.564066200052} H4 11 1
1 {} {0.157314635885 0.551984575611 0.659990925809} H5 12 1
1 {} {0.364973166694 0.568402496876 0.791995200111} H6 13 1
1 {} {0.312660047589 0.905807383599 0.472151104493} H7 14 1
1 {} {0.471703980197 0.656066068991 0.318985078508} H8 15 1
1 {} {0.600999014342 0.686082103124 0.527679405245} H10 16 1
8 {} {0.375106134959 0.570200884193 0.534899484031} O 17 1
1 {} {0.270993816785 0.843808768279 0.461170157731} 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