iterations/neb0_image06_iter145.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.47238240894 0.231664921834 0.483632399697} O1 1 1
14 {} {0.331843070977 0.222305821186 0.568693037781} Si1 2 1
14 {} {0.606306975299 0.320251570886 0.450186716147} Si2 3 1
8 {} {0.575454597986 0.47731924832 0.435067943909} O2 4 1
8 {} {0.3095627462 0.351875964185 0.666900295592} O3 5 1
14 {} {0.283705904596 0.513586351266 0.661607499243} Si3 6 1
14 {} {0.484593680396 0.611410775871 0.446994136376} Si4 7 1
1 {} {0.332535780259 0.106173152991 0.661764834978} H1 8 1
1 {} {0.220686643719 0.216713023365 0.469927470733} H2 9 1
1 {} {0.66013247362 0.273581769377 0.321829309019} H3 10 1
1 {} {0.703370607239 0.309042259642 0.559527055481} H4 11 1
1 {} {0.138806495238 0.537266877015 0.694533367814} H5 12 1
1 {} {0.370409800216 0.587868059322 0.757960910255} H6 13 1
1 {} {0.394658188021 0.81219935078 0.498487380708} H7 14 1
1 {} {0.474994989754 0.664744544096 0.309130781173} H8 15 1
1 {} {0.585530571171 0.697140018004 0.521191412708} H10 16 1
8 {} {0.333062404746 0.569385058298 0.511330723819} O 17 1
1 {} {0.332048660602 0.76998908408 0.512292716654} 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 2
15 6 0 0
4 1 0 0
3 2 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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3 16 5 {0 0 0} 0
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5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end