iterations/neb0_image08_iter68.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 {} {0.471926240163 0.217149351162 0.488368349962} O1 1 1
14 {} {0.334204303465 0.221109702433 0.57807818163} Si1 2 1
14 {} {0.601821466058 0.306578716008 0.443930163204} Si2 3 1
8 {} {0.556390779804 0.458683337647 0.401844937785} O2 4 1
8 {} {0.331024444752 0.354353287505 0.674326083121} O3 5 1
14 {} {0.29804001631 0.51554186056 0.674985824546} Si3 6 1
14 {} {0.503370419703 0.604576281567 0.453987718747} Si4 7 1
1 {} {0.331164393798 0.101813414575 0.665914913582} H1 8 1
1 {} {0.217958661291 0.224942488526 0.485753324216} H2 9 1
1 {} {0.662826947827 0.243831601657 0.324320802463} H3 10 1
1 {} {0.696273423021 0.317160700072 0.558308772461} H4 11 1
1 {} {0.151651813553 0.537765341777 0.664907557403} H5 12 1
1 {} {0.355685689915 0.573510514751 0.799080693165} H6 13 1
1 {} {0.333237994051 0.837597856873 0.415240395532} H7 14 1
1 {} {0.473442543365 0.683822887541 0.332261238257} H8 15 1
1 {} {0.60627612371 0.670230624377 0.539473376335} H10 16 1
8 {} {0.366714846057 0.586556913669 0.543784795867} O 17 1
1 {} {0.31807601618 0.817293093347 0.486490861444} 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
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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