iterations/neb0_image02_iter68.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 {} {0.468342130857 0.236486076424 0.476022982136} O1 1 1
14 {} {0.329678579252 0.24384663652 0.563881093152} Si1 2 1
14 {} {0.595657464975 0.330663893444 0.431665662435} Si2 3 1
8 {} {0.543146619307 0.474626199284 0.374482649568} O2 4 1
8 {} {0.331116839115 0.375598542615 0.661848531545} O3 5 1
14 {} {0.266757001213 0.517336592248 0.714595177104} Si3 6 1
14 {} {0.529329765147 0.63866377918 0.380250266203} Si4 7 1
1 {} {0.323190182499 0.122643485419 0.649601198983} H1 8 1
1 {} {0.213292099472 0.251734478409 0.47149453542} H2 9 1
1 {} {0.666309107383 0.260273219975 0.321682871605} H3 10 1
1 {} {0.682664369003 0.354533729355 0.550326995318} H4 11 1
1 {} {0.121301722854 0.496637940734 0.737020998085} H5 12 1
1 {} {0.340127987528 0.556697043363 0.838474724053} H6 13 1
1 {} {0.38711131846 0.678018444573 0.357153379946} H7 14 1
1 {} {0.61526443118 0.69783956777 0.274231936805} H8 15 1
1 {} {0.576966251006 0.691129511636 0.512416311593} H10 16 1
8 {} {0.280478247285 0.634661316077 0.599838754996} O 17 1
1 {} {0.3393520061 0.711127513652 0.61606991163} 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