iterations/neb0_image03_iter176.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.460132255153 0.26152114325 0.493515960959} O1 1 1
14 {} {0.324962232857 0.235763879661 0.582320972302} Si1 2 1
14 {} {0.583339118403 0.350001433477 0.431815818614} Si2 3 1
8 {} {0.529710543589 0.493400148461 0.372825999521} O2 4 1
8 {} {0.30787288796 0.349781262916 0.700472975315} O3 5 1
14 {} {0.262313322905 0.504201957089 0.731484362185} Si3 6 1
14 {} {0.557762510043 0.655237148339 0.363709277134} Si4 7 1
1 {} {0.338470156326 0.102965952934 0.648497225821} H1 8 1
1 {} {0.205770515829 0.239670765436 0.491964141006} H2 9 1
1 {} {0.639651526451 0.271548462537 0.319631746358} H3 10 1
1 {} {0.683466886021 0.374899091533 0.538874258685} H4 11 1
1 {} {0.112907562687 0.515708473513 0.728045611942} H5 12 1
1 {} {0.319606027621 0.536741998575 0.864984091914} H6 13 1
1 {} {0.432203162943 0.724944663333 0.326263864226} H7 14 1
1 {} {0.660539336829 0.680961642797 0.259124185376} H8 15 1
1 {} {0.607940542994 0.707643921033 0.493687914318} H10 16 1
8 {} {0.324292458995 0.609459320769 0.618503464846} O 17 1
1 {} {0.259145158193 0.658066791737 0.565335928639} 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