iterations/neb0_image08_iter221.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471731735928 0.225618485295 0.49313446789} O1 1 1
14 {} {0.330709497805 0.219226742217 0.576585865019} Si1 2 1
14 {} {0.613175739503 0.297736098653 0.450897323846} Si2 3 1
8 {} {0.591567562044 0.456817346461 0.416554092582} O2 4 1
8 {} {0.313582835582 0.349031542655 0.676808667028} O3 5 1
14 {} {0.30043617834 0.513097111101 0.669684674213} Si3 6 1
14 {} {0.511894074391 0.596997267736 0.448676077506} Si4 7 1
1 {} {0.331655165919 0.0972422881305 0.661136406128} H1 8 1
1 {} {0.219041977262 0.217066176375 0.478195645467} H2 9 1
1 {} {0.663192449007 0.230273867151 0.328452610836} H3 10 1
1 {} {0.70970387492 0.286423402154 0.56410117382} H4 11 1
1 {} {0.157293583159 0.55211703337 0.659898057174} H5 12 1
1 {} {0.36508554315 0.568447632498 0.791891465111} H6 13 1
1 {} {0.312452981749 0.906124018249 0.472488262175} H7 14 1
1 {} {0.471711081363 0.655786705854 0.318735686216} H8 15 1
1 {} {0.600880004086 0.686170613125 0.527716528085} H10 16 1
8 {} {0.375014405356 0.570183129198 0.534835018856} O 17 1
1 {} {0.270957571188 0.844158409447 0.46126571773} 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
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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