iterations/neb0_image06_iter102.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469789590033 0.224012707667 0.491529715155} O1 1 1
14 {} {0.330706247736 0.222701769411 0.577472048051} Si1 2 1
14 {} {0.596666512555 0.320703234044 0.447309698995} Si2 3 1
8 {} {0.551426155255 0.472566082264 0.409368824666} O2 4 1
8 {} {0.324448020692 0.352870830695 0.67873296366} O3 5 1
14 {} {0.294856965422 0.514569343111 0.674097824308} Si3 6 1
14 {} {0.49552902593 0.621556389013 0.445716393355} Si4 7 1
1 {} {0.327301066779 0.0989161591058 0.659767296101} H1 8 1
1 {} {0.214803055752 0.229372471901 0.484158312852} H2 9 1
1 {} {0.653162767596 0.267043863106 0.321656911864} H3 10 1
1 {} {0.693892785381 0.325434977123 0.560085853817} H4 11 1
1 {} {0.147778013888 0.540221599656 0.668504985881} H5 12 1
1 {} {0.357927668448 0.574206748116 0.795237786733} H6 13 1
1 {} {0.369798281858 0.798976651911 0.446423900659} H7 14 1
1 {} {0.500005762005 0.678766880184 0.307464123432} H8 15 1
1 {} {0.592908157573 0.696661357076 0.53116797495} H10 16 1
8 {} {0.359578461292 0.582518299614 0.538857281541} O 17 1
1 {} {0.329507559606 0.751418604159 0.493506108767} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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