iterations/neb0_image02_iter166.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 {} {0.464026138927 0.251988845998 0.489496566572} O1 1 1
14 {} {0.328609548525 0.239634186027 0.581047745976} Si1 2 1
14 {} {0.586525600427 0.343052157928 0.430166905457} Si2 3 1
8 {} {0.529253406147 0.484769996504 0.370400389271} O2 4 1
8 {} {0.319362839258 0.362343793601 0.689391926818} O3 5 1
14 {} {0.252367511806 0.508479035027 0.72541081649} Si3 6 1
14 {} {0.549752077452 0.648047922764 0.363164330108} Si4 7 1
1 {} {0.336493564586 0.111501633953 0.65599856139} H1 8 1
1 {} {0.210525501218 0.242567457963 0.490520426218} H2 9 1
1 {} {0.648522828819 0.266324296223 0.319464984117} H3 10 1
1 {} {0.684612013328 0.371913632878 0.538738539611} H4 11 1
1 {} {0.106138038875 0.491728781367 0.741254899436} H5 12 1
1 {} {0.319423589419 0.556942853781 0.84935793145} H6 13 1
1 {} {0.420938372921 0.711597257202 0.321970744853} H7 14 1
1 {} {0.656730915431 0.682217239404 0.265509415954} H8 15 1
1 {} {0.588746264164 0.70135036887 0.497324025007} H10 16 1
8 {} {0.267866287292 0.617467859412 0.601257139345} O 17 1
1 {} {0.34019158746 0.680590609403 0.600582802813} 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