iterations/neb0_image08_iter144.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471329515557 0.22557325834 0.492834356052} O1 1 1
14 {} {0.330794315818 0.220549030146 0.577088795654} Si1 2 1
14 {} {0.608390644398 0.303124118091 0.448001264439} Si2 3 1
8 {} {0.580445941234 0.459991415849 0.407210942183} O2 4 1
8 {} {0.321264365453 0.349459014915 0.679525331506} O3 5 1
14 {} {0.301317335691 0.512606966591 0.674194867606} Si3 6 1
14 {} {0.510496957208 0.601767115641 0.452017084083} Si4 7 1
1 {} {0.328131183579 0.0955190505741 0.657288713925} H1 8 1
1 {} {0.217065863388 0.224269904595 0.480425423329} H2 9 1
1 {} {0.662274349389 0.231933883924 0.330070260838} H3 10 1
1 {} {0.704245862848 0.30017341007 0.561113835119} H4 11 1
1 {} {0.157937395554 0.54629878238 0.659636218345} H5 12 1
1 {} {0.362407381861 0.568318136506 0.796819055202} H6 13 1
1 {} {0.325969619944 0.88020077098 0.447248278588} H7 14 1
1 {} {0.465222812431 0.674104636423 0.331274779333} H8 15 1
1 {} {0.60727741756 0.680528423303 0.532638449784} H10 16 1
8 {} {0.376233470862 0.575740410648 0.542892913398} O 17 1
1 {} {0.279281781806 0.822359590516 0.460777282185} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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