iterations/neb0_image05_iter51.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470440285926 0.224052887089 0.481382866883} O1 1 1
14 {} {0.331980814082 0.229343410983 0.56998404628} Si1 2 1
14 {} {0.590456007595 0.328838434145 0.441791044316} Si2 3 1
8 {} {0.526277769662 0.476312884697 0.409906118491} O2 4 1
8 {} {0.333740513542 0.365278686521 0.666220510514} O3 5 1
14 {} {0.286791035894 0.519467487732 0.688685250079} Si3 6 1
14 {} {0.503014732388 0.639884550117 0.430667939738} Si4 7 1
1 {} {0.330495495683 0.116016484121 0.66513917367} H1 8 1
1 {} {0.212549135517 0.232841713204 0.480415142088} H2 9 1
1 {} {0.654945939132 0.265479658716 0.324646631125} H3 10 1
1 {} {0.689572913407 0.338439368716 0.552345639602} H4 11 1
1 {} {0.136356802207 0.534074093492 0.690428176399} H5 12 1
1 {} {0.343843763331 0.568889136627 0.819407566686} H6 13 1
1 {} {0.392886127127 0.760417731578 0.421584537159} H7 14 1
1 {} {0.530814019258 0.682614215721 0.29318632961} H8 15 1
1 {} {0.596563722085 0.692329065257 0.53273141295} H10 16 1
8 {} {0.349489872446 0.604748549244 0.557933158705} O 17 1
1 {} {0.329867164115 0.693489595568 0.504602430742} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
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