iterations/neb0_image07_iter213.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474107049658 0.228497145958 0.49628129404} O1 1 1
14 {} {0.334381903234 0.216404937837 0.581324585036} Si1 2 1
14 {} {0.615892405031 0.300549256917 0.452568268342} Si2 3 1
8 {} {0.597845637913 0.461440898936 0.424289940562} O2 4 1
8 {} {0.308364445512 0.34843987096 0.676751345036} O3 5 1
14 {} {0.291054360334 0.510753510323 0.650497277705} Si3 6 1
14 {} {0.496301247374 0.590339302831 0.433877862924} Si4 7 1
1 {} {0.343751129896 0.0982919153656 0.67081582719} H1 8 1
1 {} {0.221829465898 0.204610017124 0.484128805225} H2 9 1
1 {} {0.660063655681 0.233787021934 0.326850417455} H3 10 1
1 {} {0.715512335216 0.287714216329 0.562939948389} H4 11 1
1 {} {0.147765718308 0.550604749585 0.648630387048} H5 12 1
1 {} {0.367682426748 0.579885580404 0.758025521163} H6 13 1
1 {} {0.342537550879 0.919939788373 0.503257882498} H7 14 1
1 {} {0.469453073992 0.635909197829 0.295021263289} H8 15 1
1 {} {0.558520537875 0.693461080806 0.521029062831} H10 16 1
8 {} {0.351357951373 0.548676832274 0.502260037202} O 17 1
1 {} {0.313665019788 0.863212495498 0.542508058499} 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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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
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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end