iterations/neb0_image06_iter167.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 {} {0.474238609311 0.227236049482 0.485373718164} O1 1 1
14 {} {0.331309349205 0.222141946763 0.567425204016} Si1 2 1
14 {} {0.608373184737 0.315615933994 0.452615849801} Si2 3 1
8 {} {0.567695493848 0.472154832882 0.445768727149} O2 4 1
8 {} {0.304899705011 0.355747112837 0.660506381811} O3 5 1
14 {} {0.284893253102 0.518270015835 0.657221752257} Si3 6 1
14 {} {0.485077872192 0.612063831193 0.445026356802} Si4 7 1
1 {} {0.33811141754 0.106609851771 0.659756440506} H1 8 1
1 {} {0.224861644234 0.2066688373 0.464474430093} H2 9 1
1 {} {0.663277817334 0.281523843295 0.317106567703} H3 10 1
1 {} {0.708517555075 0.295833120763 0.563160062335} H4 11 1
1 {} {0.142341844377 0.541393387595 0.69858482195} H5 12 1
1 {} {0.374123202589 0.583255948412 0.757114679754} H6 13 1
1 {} {0.392938133617 0.817942569064 0.515621319663} H7 14 1
1 {} {0.471050442669 0.657106215287 0.30384122075} H8 15 1
1 {} {0.579285294513 0.703112059919 0.519846857174} H10 16 1
8 {} {0.331342908411 0.576090784573 0.508639696585} O 17 1
1 {} {0.327748209145 0.779751488562 0.508973958728} 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