iterations/neb0_image07_iter181.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	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.47172165093 0.239143348772 0.494555205811} O1 1 1
14 {} {0.332530924839 0.221465544436 0.579303825879} Si1 2 1
14 {} {0.616161531304 0.303207484225 0.45120001086} Si2 3 1
8 {} {0.599039254767 0.464072588679 0.419602151176} O2 4 1
8 {} {0.304397552853 0.348211845147 0.68192346549} O3 5 1
14 {} {0.290909258295 0.509957979738 0.65476346402} Si3 6 1
14 {} {0.49603823117 0.590498381756 0.437092980977} Si4 7 1
1 {} {0.345386359204 0.100103757611 0.663088848987} H1 8 1
1 {} {0.221863580928 0.212410426215 0.479666080234} H2 9 1
1 {} {0.664357537594 0.236362456563 0.327631615651} H3 10 1
1 {} {0.712351419588 0.28402239787 0.563001273005} H4 11 1
1 {} {0.14766826536 0.54917743492 0.655918958413} H5 12 1
1 {} {0.368836605465 0.583748829955 0.757945279982} H6 13 1
1 {} {0.34666590474 0.904265245512 0.49760254686} H7 14 1
1 {} {0.462180461778 0.645473572581 0.303552936882} H8 15 1
1 {} {0.559655506695 0.691469748736 0.525897967905} H10 16 1
8 {} {0.353298792 0.543794458917 0.505481493549} O 17 1
1 {} {0.317023129837 0.845132312606 0.532829715545} 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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14 6 0 0
16 5 0 2
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4 1 0 0
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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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5 4 1 {0 0 0} 0
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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