iterations/neb0_image09_iter141.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 {} {0.471935597133 0.215598165523 0.494323862449} O1 1 1
14 {} {0.334471368973 0.215887067449 0.583847981091} Si1 2 1
14 {} {0.604257803946 0.299403072127 0.444257687147} Si2 3 1
8 {} {0.56473687924 0.452566195886 0.4001391988} O2 4 1
8 {} {0.325807352568 0.351473295625 0.677786702351} O3 5 1
14 {} {0.298236528118 0.513419005955 0.67183907758} Si3 6 1
14 {} {0.508752958457 0.598440765226 0.451954690954} Si4 7 1
1 {} {0.337484884821 0.0983614417369 0.674378651352} H1 8 1
1 {} {0.217705149758 0.211813270953 0.491221320681} H2 9 1
1 {} {0.659169251207 0.229847656532 0.325461897136} H3 10 1
1 {} {0.702819361999 0.305994225087 0.555662471863} H4 11 1
1 {} {0.152703644259 0.540112830903 0.656787433452} H5 12 1
1 {} {0.353508663155 0.571881538652 0.796830121455} H6 13 1
1 {} {0.321459099412 0.891436777397 0.418953919932} H7 14 1
1 {} {0.473764066264 0.677373730039 0.33169204945} H8 15 1
1 {} {0.612918070532 0.664774575902 0.535363731295} H10 16 1
8 {} {0.372495571803 0.580636402982 0.5414825043} O 17 1
1 {} {0.297859884721 0.853497937755 0.479074587073} 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