iterations/neb0_image06_iter277.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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	WyckoffPosition	int	-1
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@data
8 {} {0.468793925636 0.252897233452 0.48751477227} O1 1 1
14 {} {0.323390620602 0.224584048693 0.559065359224} Si1 2 1
14 {} {0.608341106395 0.34055108707 0.47339646839} Si2 3 1
8 {} {0.586242986859 0.491476490012 0.535104009658} O2 4 1
8 {} {0.250750131295 0.353889129058 0.631142569079} O3 5 1
14 {} {0.273149804623 0.514037127049 0.658331207781} Si3 6 1
14 {} {0.494962936275 0.610727982655 0.463889248011} Si4 7 1
1 {} {0.341642165167 0.124695778274 0.666923477795} H1 8 1
1 {} {0.239032462219 0.174271289598 0.448148137681} H2 9 1
1 {} {0.637929532268 0.354645507804 0.326481107095} H3 10 1
1 {} {0.717938909052 0.275421732717 0.549319679567} H4 11 1
1 {} {0.145707815201 0.568575368939 0.714500864622} H5 12 1
1 {} {0.379897696544 0.55389426766 0.753862800276} H6 13 1
1 {} {0.404301856926 0.784143924903 0.491412914365} H7 14 1
1 {} {0.473141451335 0.607897889592 0.319814554431} H8 15 1
1 {} {0.596293759961 0.724262199444 0.47215400375} H10 16 1
8 {} {0.329261546352 0.572943071363 0.514449220863} O 17 1
1 {} {0.339307377196 0.74360406359 0.465547964155} 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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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}}
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@data
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end