iterations/neb0_image04_iter288.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469474312806 0.26010088649 0.491243776692} O1 1 1
14 {} {0.326298864812 0.231904823803 0.566602174663} Si1 2 1
14 {} {0.602262979578 0.346231526499 0.450443448281} Si2 3 1
8 {} {0.564692137807 0.504665899804 0.438509418475} O2 4 1
8 {} {0.280274513247 0.353662610285 0.66614658608} O3 5 1
14 {} {0.231783208128 0.507331051603 0.69723955667} Si3 6 1
14 {} {0.589939436464 0.664483757924 0.40510683488} Si4 7 1
1 {} {0.344183199702 0.111017059528 0.652444045922} H1 8 1
1 {} {0.224851407837 0.210608188641 0.458319411425} H2 9 1
1 {} {0.65145349098 0.29764900295 0.318021457785} H3 10 1
1 {} {0.704896704202 0.327177808505 0.557945877733} H4 11 1
1 {} {0.109161983783 0.499944268173 0.78117148381} H5 12 1
1 {} {0.342021444063 0.577204091969 0.768847455494} H6 13 1
1 {} {0.472609007846 0.743533911105 0.454024201241} H7 14 1
1 {} {0.604944219864 0.682780601482 0.257549578771} H8 15 1
1 {} {0.713609815633 0.711071184501 0.475901726104} H10 16 1
8 {} {0.203442208461 0.575806983143 0.549511624897} O 17 1
1 {} {0.174186990376 0.667344077077 0.542029696018} 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
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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