iterations/neb0_image05_iter197.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473639612538 0.242355361213 0.48822774645} O1 1 1
14 {} {0.326911350545 0.226532782525 0.56300971913} Si1 2 1
14 {} {0.601544458922 0.342343356906 0.466895699894} Si2 3 1
8 {} {0.555923700118 0.497678074622 0.495360982239} O2 4 1
8 {} {0.28302639099 0.362653417822 0.641341161251} O3 5 1
14 {} {0.246018194334 0.521973768686 0.66408187204} Si3 6 1
14 {} {0.561020616336 0.653439267933 0.441771994327} Si4 7 1
1 {} {0.338675278321 0.116016905172 0.661695846475} H1 8 1
1 {} {0.22521763909 0.194447504626 0.459565312687} H2 9 1
1 {} {0.644948660858 0.334876806874 0.324703702049} H3 10 1
1 {} {0.70969539247 0.30919200078 0.564258188424} H4 11 1
1 {} {0.133113553812 0.521904611562 0.761928141355} H5 12 1
1 {} {0.369710104317 0.596648232316 0.709965509382} H6 13 1
1 {} {0.472022177245 0.730446283254 0.534830552034} H7 14 1
1 {} {0.512329451295 0.665989845124 0.29972812382} H8 15 1
1 {} {0.701805475552 0.705579064875 0.445121549263} H10 16 1
8 {} {0.193668197994 0.594629606433 0.523719675314} O 17 1
1 {} {0.260815759612 0.655811086966 0.484852386813} 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