iterations/neb0_image06_iter20.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 {} {0.469465202553 0.226421969692 0.482425120629} O1 1 1
14 {} {0.331310879378 0.231914311987 0.574104547795} Si1 2 1
14 {} {0.601694210917 0.31361637294 0.438859948515} Si2 3 1
8 {} {0.552818285222 0.466426981661 0.388175553545} O2 4 1
8 {} {0.331669280861 0.365147190687 0.669459551418} O3 5 1
14 {} {0.286154737809 0.522845824564 0.687507052006} Si3 6 1
14 {} {0.503964415973 0.62050637595 0.42799028398} Si4 7 1
1 {} {0.330721582964 0.11132970748 0.662810814811} H1 8 1
1 {} {0.214818986267 0.233292575938 0.47860643693} H2 9 1
1 {} {0.667087134194 0.238073952909 0.326710204796} H3 10 1
1 {} {0.695486984571 0.327969937145 0.555362639204} H4 11 1
1 {} {0.131599779448 0.513460812951 0.705510539872} H5 12 1
1 {} {0.341761308716 0.554058205042 0.828219565653} H6 13 1
1 {} {0.345980437582 0.792388445352 0.424138679583} H7 14 1
1 {} {0.537809753006 0.686766262523 0.293893723891} H8 15 1
1 {} {0.590952811036 0.679604186585 0.532222088971} H10 16 1
8 {} {0.344192550461 0.618367125502 0.56396497722} O 17 1
1 {} {0.332597806929 0.770327717445 0.491096266808} 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