iterations/neb0_image02_iter146.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.465482190712 0.246617751811 0.48686375161} O1 1 1
14 {} {0.328760587994 0.240573300305 0.57800423211} Si1 2 1
14 {} {0.58811065458 0.339706238429 0.430177267659} Si2 3 1
8 {} {0.530552486559 0.481992369388 0.371885221771} O2 4 1
8 {} {0.322755092979 0.36595667343 0.683947519207} O3 5 1
14 {} {0.254171568938 0.51070547348 0.722838057619} Si3 6 1
14 {} {0.54604119261 0.645972745071 0.367131012997} Si4 7 1
1 {} {0.333695486404 0.113283730062 0.655771261965} H1 8 1
1 {} {0.210742446221 0.244435353098 0.485840367112} H2 9 1
1 {} {0.653381752758 0.265442003116 0.319728823323} H3 10 1
1 {} {0.68395190733 0.368979624198 0.540113117483} H4 11 1
1 {} {0.107774749623 0.492377735396 0.741405945217} H5 12 1
1 {} {0.324377424877 0.556563216474 0.844934030576} H6 13 1
1 {} {0.413119083639 0.702643526679 0.330913231731} H7 14 1
1 {} {0.648832193474 0.685606954753 0.266375969231} H8 15 1
1 {} {0.586157800829 0.70063521412 0.50120061796} H10 16 1
8 {} {0.271363048454 0.622346788085 0.600997085305} O 17 1
1 {} {0.340816427098 0.68867924823 0.602930602123} 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