iterations/neb0_image08_iter83.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 {} {0.471982702737 0.218447293642 0.489253218311} O1 1 1
14 {} {0.33352879734 0.221246332559 0.578204484689} Si1 2 1
14 {} {0.602400473399 0.307451444799 0.444249789746} Si2 3 1
8 {} {0.557821249666 0.45949220549 0.400722165425} O2 4 1
8 {} {0.329698177778 0.352878687906 0.677120766305} O3 5 1
14 {} {0.298705766841 0.514854551166 0.675124730452} Si3 6 1
14 {} {0.504434689227 0.605019100167 0.453779886293} Si4 7 1
1 {} {0.329985924941 0.0999928909898 0.663855410147} H1 8 1
1 {} {0.217999644095 0.226112555696 0.484064316063} H2 9 1
1 {} {0.663402952698 0.244624721204 0.324449074401} H3 10 1
1 {} {0.696642682455 0.31462913441 0.559688616684} H4 11 1
1 {} {0.152186974316 0.537880001482 0.665304155385} H5 12 1
1 {} {0.356307422742 0.571666999795 0.799841322283} H6 13 1
1 {} {0.333100294242 0.842317877335 0.416527714213} H7 14 1
1 {} {0.472109060769 0.683963955287 0.332759363979} H8 15 1
1 {} {0.608017481972 0.670553116448 0.538702133037} H10 16 1
8 {} {0.367917063509 0.585285014618 0.54329038401} O 17 1
1 {} {0.313844765895 0.816102098207 0.484120431999} 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