iterations/neb0_image08_iter168.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	{{}}
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@end
@data
8 {} {0.470941128686 0.228480577604 0.492764058209} O1 1 1
14 {} {0.330329988074 0.220638041698 0.576695692258} Si1 2 1
14 {} {0.611940874557 0.300570633027 0.449988246305} Si2 3 1
8 {} {0.587426249085 0.458469469851 0.410721516452} O2 4 1
8 {} {0.314850570583 0.347931069698 0.680430280143} O3 5 1
14 {} {0.300757353123 0.512105553071 0.673024561267} Si3 6 1
14 {} {0.512107157785 0.599283781283 0.449840315532} Si4 7 1
1 {} {0.330127373058 0.0966648087219 0.65869683158} H1 8 1
1 {} {0.218239296711 0.222485485381 0.478298948339} H2 9 1
1 {} {0.662935827033 0.230743188692 0.329343638863} H3 10 1
1 {} {0.708079526288 0.291216262335 0.564002753008} H4 11 1
1 {} {0.157182910316 0.548754624509 0.660878331203} H5 12 1
1 {} {0.363632200658 0.568111416316 0.795758034338} H6 13 1
1 {} {0.317337506696 0.893528064237 0.464940412646} H7 14 1
1 {} {0.467749310238 0.667229693558 0.325459959886} H8 15 1
1 {} {0.606754648623 0.683409489454 0.528389104258} H10 16 1
8 {} {0.376631953513 0.569426995993 0.539206932621} O 17 1
1 {} {0.273062380636 0.833468718563 0.452618176819} 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
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	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
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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end