iterations/neb0_image09_iter148.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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@end
@data
8 {} {0.471954495034 0.216745627007 0.494679209634} O1 1 1
14 {} {0.333993369129 0.215633348702 0.583364016282} Si1 2 1
14 {} {0.604586185961 0.299171655054 0.444382350362} Si2 3 1
8 {} {0.566665071239 0.452892133671 0.399793890584} O2 4 1
8 {} {0.325028690792 0.350404502092 0.678128818943} O3 5 1
14 {} {0.298640520904 0.512565142017 0.672714313884} Si3 6 1
14 {} {0.508665115417 0.597873008748 0.452321370584} Si4 7 1
1 {} {0.336779750454 0.0968920648775 0.672384733254} H1 8 1
1 {} {0.218129467261 0.212559550437 0.489602598128} H2 9 1
1 {} {0.659549602431 0.229084484804 0.325857029137} H3 10 1
1 {} {0.703526259563 0.303732681226 0.555576068331} H4 11 1
1 {} {0.153443743184 0.540686691219 0.657120929632} H5 12 1
1 {} {0.354661235935 0.56976146505 0.797904321968} H6 13 1
1 {} {0.320246391315 0.897302926767 0.422171720142} H7 14 1
1 {} {0.473269495263 0.677848538183 0.33172519475} H8 15 1
1 {} {0.613509564103 0.664422460297 0.534539503474} H10 16 1
8 {} {0.373764967584 0.579919024092 0.542196533375} O 17 1
1 {} {0.293672201361 0.855022625866 0.476595200165} 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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2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
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
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7 4 1 {0 0 0} 0
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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end