iterations/neb0_image09_iter274.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.472582256089 0.211498082814 0.494870177773} O1 1 1
14 {} {0.333240187826 0.214476868965 0.581898689653} Si1 2 1
14 {} {0.606798252212 0.293819365219 0.446945563767} Si2 3 1
8 {} {0.571319237813 0.449589593246 0.410094136788} O2 4 1
8 {} {0.322508089358 0.35156354592 0.67269330256} O3 5 1
14 {} {0.300459469398 0.514149150579 0.670809573225} Si3 6 1
14 {} {0.512226083029 0.596953501397 0.452667486681} Si4 7 1
1 {} {0.334164553426 0.0990571451511 0.675386225047} H1 8 1
1 {} {0.218885891861 0.209104333179 0.486389759662} H2 9 1
1 {} {0.658409672417 0.228855926156 0.323923418283} H3 10 1
1 {} {0.707177203664 0.290864332655 0.557228076701} H4 11 1
1 {} {0.155559104892 0.54551030344 0.660292218119} H5 12 1
1 {} {0.360385101396 0.567461510157 0.795978356306} H6 13 1
1 {} {0.313260901622 0.919334752585 0.437177864378} H7 14 1
1 {} {0.478053763452 0.670397808334 0.328491991866} H8 15 1
1 {} {0.615180830256 0.668676989011 0.533046960518} H10 16 1
8 {} {0.374193814122 0.581838377955 0.540053007185} O 17 1
1 {} {0.275681783703 0.859366312127 0.463110851037} 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
12 5 0 0
1 0 0 0
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
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end