iterations/neb0_image05_iter185.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473162102565 0.238569303235 0.487057385843} O1 1 1
14 {} {0.328314188771 0.22596391361 0.564321591622} Si1 2 1
14 {} {0.598675787775 0.342048909881 0.465060783275} Si2 3 1
8 {} {0.547482429154 0.496559208078 0.490456448481} O2 4 1
8 {} {0.289400407081 0.363066927852 0.644203095062} O3 5 1
14 {} {0.251541748479 0.521655751797 0.664616549474} Si3 6 1
14 {} {0.55690856628 0.652699526463 0.43818947003} Si4 7 1
1 {} {0.339203930964 0.114605025149 0.663646996908} H1 8 1
1 {} {0.224560053468 0.199998515667 0.460024348424} H2 9 1
1 {} {0.645715993716 0.330791494176 0.323677676913} H3 10 1
1 {} {0.706654301527 0.313114874553 0.56422717001} H4 11 1
1 {} {0.134424951327 0.523336274237 0.755270968657} H5 12 1
1 {} {0.368484688177 0.594562258071 0.720015218582} H6 13 1
1 {} {0.461899285155 0.726044128494 0.526718601645} H7 14 1
1 {} {0.516804530684 0.667699028416 0.295748954435} H8 15 1
1 {} {0.695805304152 0.704674939988 0.453528775714} H10 16 1
8 {} {0.207632513653 0.59124873576 0.521140730061} O 17 1
1 {} {0.263415228086 0.665879136657 0.4931533725} 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