iterations/neb0_image08_iter128.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 {} {0.470753714233 0.221121123843 0.490049845101} O1 1 1
14 {} {0.331610498433 0.220558819298 0.57687367176} Si1 2 1
14 {} {0.605484640996 0.305125213095 0.445902899581} Si2 3 1
8 {} {0.568713219078 0.459344470522 0.40285623993} O2 4 1
8 {} {0.324960686204 0.350231215759 0.678956126342} O3 5 1
14 {} {0.30005382416 0.512882089541 0.675946820491} Si3 6 1
14 {} {0.508520545508 0.603969221325 0.453379115926} Si4 7 1
1 {} {0.328536017607 0.097954190304 0.66034000006} H1 8 1
1 {} {0.216192034907 0.226404651339 0.482606795602} H2 9 1
1 {} {0.662369237481 0.237028971127 0.32663896967} H3 10 1
1 {} {0.701579111235 0.311304470504 0.560288443349} H4 11 1
1 {} {0.154550872611 0.541087999058 0.664545793545} H5 12 1
1 {} {0.357744390976 0.56883758554 0.80103300671} H6 13 1
1 {} {0.331918318036 0.863122650772 0.428648432873} H7 14 1
1 {} {0.472500889018 0.678671820848 0.330432066807} H8 15 1
1 {} {0.609075563983 0.677784680549 0.535741536961} H10 16 1
8 {} {0.373025939599 0.580396736985 0.543974841155} O 17 1
1 {} {0.292496677221 0.816692063247 0.472843317274} 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