iterations/neb0_image09_iter3.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 {} {0.472258505357 0.21512017706 0.496471093557} O1 1 1
14 {} {0.33622529811 0.21731760816 0.589499371378} Si1 2 1
14 {} {0.604196012566 0.296154227437 0.444941636173} Si2 3 1
8 {} {0.564541061751 0.449866220817 0.397552394468} O2 4 1
8 {} {0.326626080553 0.354496036981 0.674719498369} O3 5 1
14 {} {0.29115712011 0.515742459895 0.674159556281} Si3 6 1
14 {} {0.50761503802 0.596369801832 0.44549472105} Si4 7 1
1 {} {0.343831638871 0.105825312157 0.686811376965} H1 8 1
1 {} {0.218604448531 0.204793270143 0.499409901097} H2 9 1
1 {} {0.65774341674 0.225527681052 0.326280829955} H3 10 1
1 {} {0.703924734376 0.304407181662 0.554940274548} H4 11 1
1 {} {0.144961534333 0.531512885446 0.660963630073} H5 12 1
1 {} {0.346037093763 0.572112135918 0.798915272502} H6 13 1
1 {} {0.320988511718 0.893801165001 0.411427376516} H7 14 1
1 {} {0.49571856405 0.675986699425 0.318078536875} H8 15 1
1 {} {0.607456333588 0.66375428014 0.530470922019} H10 16 1
8 {} {0.365048933711 0.58946270086 0.540881289453} O 17 1
1 {} {0.30315181836 0.860268118037 0.480040314709} 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