iterations/neb0_image07_iter67.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
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@data
8 {} {0.470539985525 0.219681417384 0.485035906463} O1 1 1
14 {} {0.332331599677 0.224739342072 0.574223643268} Si1 2 1
14 {} {0.599194389697 0.312736795441 0.44346776128} Si2 3 1
8 {} {0.55069299505 0.463348497415 0.403446838987} O2 4 1
8 {} {0.330850953375 0.355078790148 0.674986445948} O3 5 1
14 {} {0.298420038536 0.515860645681 0.680001679132} Si3 6 1
14 {} {0.501522320841 0.610201044679 0.455280512488} Si4 7 1
1 {} {0.326926078135 0.103289976578 0.659233193622} H1 8 1
1 {} {0.216673646832 0.233372141978 0.480829799392} H2 9 1
1 {} {0.662252817388 0.25501471016 0.322764386241} H3 10 1
1 {} {0.692102012895 0.326446572179 0.558472979372} H4 11 1
1 {} {0.152084246337 0.538505093575 0.671597350026} H5 12 1
1 {} {0.354853903754 0.571059693536 0.80556072588} H6 13 1
1 {} {0.349027414818 0.815109496343 0.420807478866} H7 14 1
1 {} {0.481914893102 0.684406204216 0.328800027918} H8 15 1
1 {} {0.60292937131 0.679720037674 0.539802484509} H10 16 1
8 {} {0.368075252791 0.587989921094 0.550255117219} O 17 1
1 {} {0.319694220792 0.775957585234 0.476491629662} 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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7 1 0 0
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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