iterations/neb0_image09_iter104.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@end
@data
8 {} {0.471891856125 0.214100771401 0.494610763717} O1 1 1
14 {} {0.335452272268 0.216075474641 0.585798817585} Si1 2 1
14 {} {0.603220517195 0.299486910426 0.444818199975} Si2 3 1
8 {} {0.561498153254 0.452198701281 0.400987060008} O2 4 1
8 {} {0.327638474262 0.353679333489 0.67618397757} O3 5 1
14 {} {0.296815491793 0.515153647106 0.670139010178} Si3 6 1
14 {} {0.507210381362 0.598996478365 0.450955498507} Si4 7 1
1 {} {0.339282333161 0.101482044764 0.679963104899} H1 8 1
1 {} {0.218190661954 0.210152672149 0.49429425883} H2 9 1
1 {} {0.659041830636 0.232202953294 0.325022298496} H3 10 1
1 {} {0.702011600113 0.306423953934 0.556261463653} H4 11 1
1 {} {0.150335846006 0.538159632185 0.656765760332} H5 12 1
1 {} {0.351441434468 0.575232658271 0.794885093535} H6 13 1
1 {} {0.323010573864 0.880979319258 0.414810117095} H7 14 1
1 {} {0.476599004235 0.678687513796 0.329710483} H8 15 1
1 {} {0.611756007783 0.663776768924 0.534830978436} H10 16 1
8 {} {0.369303838197 0.583398574343 0.53957229145} O 17 1
1 {} {0.305385892975 0.852330562364 0.481448785655} 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 0
15 6 0 0
16 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
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5 15 6 {0 0 0} 0
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7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end