iterations/neb0_image09_iter222.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 {} {0.472322028388 0.215167297133 0.493760419973} O1 1 1
14 {} {0.333131414434 0.21490813001 0.581682373217} Si1 2 1
14 {} {0.606241925492 0.296451138319 0.445124912084} Si2 3 1
8 {} {0.570299426868 0.45171135065 0.403496163469} O2 4 1
8 {} {0.322518176776 0.349093345992 0.676203558636} O3 5 1
14 {} {0.300211961988 0.512384289453 0.673025340252} Si3 6 1
14 {} {0.511462572739 0.596881280186 0.45282927081} Si4 7 1
1 {} {0.334318567069 0.0966052847266 0.671241747473} H1 8 1
1 {} {0.218774918438 0.211488707486 0.486303503478} H2 9 1
1 {} {0.659152091052 0.228653288553 0.32417204256} H3 10 1
1 {} {0.70567652945 0.298236247807 0.556380133179} H4 11 1
1 {} {0.155302803864 0.542959624026 0.65936041791} H5 12 1
1 {} {0.357897396745 0.567753574624 0.798576326846} H6 13 1
1 {} {0.316532654045 0.913500660208 0.431505519314} H7 14 1
1 {} {0.474291378866 0.673367272188 0.331093764767} H8 15 1
1 {} {0.614940389007 0.666663371436 0.534516389357} H10 16 1
8 {} {0.37581828147 0.579014606901 0.543226890455} O 17 1
1 {} {0.281193593319 0.857678489171 0.468558850821} 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 0
15 6 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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5 15 6 {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