iterations/neb0_image09_iter22.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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	WyckoffPosition	int	-1
@end
@data
8 {} {0.471696700813 0.214995150368 0.495090537362} O1 1 1
14 {} {0.336182503173 0.217417238641 0.587693132262} Si1 2 1
14 {} {0.603395662758 0.299044381273 0.444247855742} Si2 3 1
8 {} {0.559297036005 0.450930175447 0.400515948811} O2 4 1
8 {} {0.327847313677 0.356715801627 0.674739020763} O3 5 1
14 {} {0.294760191673 0.516889789906 0.669969623197} Si3 6 1
14 {} {0.507138764405 0.599368637997 0.448355456758} Si4 7 1
1 {} {0.342600463104 0.104771649112 0.684782758037} H1 8 1
1 {} {0.217829650175 0.207175005651 0.497055573032} H2 9 1
1 {} {0.658535080909 0.22751063136 0.326086825987} H3 10 1
1 {} {0.703172361815 0.306738280505 0.554911135533} H4 11 1
1 {} {0.147356948808 0.533214948054 0.662178648839} H5 12 1
1 {} {0.345846042875 0.572428782408 0.797925815911} H6 13 1
1 {} {0.322239999219 0.88289285669 0.413479229002} H7 14 1
1 {} {0.48933146316 0.674319757023 0.322445013187} H8 15 1
1 {} {0.608735934907 0.66513000912 0.533737749818} H10 16 1
8 {} {0.367896694556 0.586609696385 0.537670617658} O 17 1
1 {} {0.306223344989 0.85636515994 0.48017305507} 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
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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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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