iterations/neb0_image08_iter39.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 {} {0.470882597291 0.217383957653 0.487951309448} O1 1 1
14 {} {0.334010445549 0.221725097359 0.578441508523} Si1 2 1
14 {} {0.600932624567 0.305562247248 0.443520048872} Si2 3 1
8 {} {0.553467087092 0.45702062891 0.400513986347} O2 4 1
8 {} {0.332310421196 0.35590989358 0.671934481504} O3 5 1
14 {} {0.296817039836 0.516069874169 0.6738470616} Si3 6 1
14 {} {0.503591366484 0.604330394737 0.452650918557} Si4 7 1
1 {} {0.33480636746 0.106599586652 0.670156191366} H1 8 1
1 {} {0.216919566958 0.222382120579 0.487483046053} H2 9 1
1 {} {0.661749095096 0.239657092722 0.326473188408} H3 10 1
1 {} {0.697793696271 0.319585560409 0.554867216404} H4 11 1
1 {} {0.149250454603 0.534767067693 0.671624752975} H5 12 1
1 {} {0.349087019563 0.571738235283 0.801542044398} H6 13 1
1 {} {0.332474505168 0.83501108261 0.415575846928} H7 14 1
1 {} {0.484395973774 0.680050756398 0.325414636635} H8 15 1
1 {} {0.606007523793 0.673376540963 0.53990481689} H10 16 1
8 {} {0.365391892778 0.588795494295 0.541367177616} O 17 1
1 {} {0.320198448948 0.822552336762 0.487789773155} 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