iterations/neb0_image04_iter192.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465559147191 0.253066848734 0.488596374224} O1 1 1
14 {} {0.325548221926 0.229570830583 0.570994400197} Si1 2 1
14 {} {0.592526603523 0.34677969001 0.443607672304} Si2 3 1
8 {} {0.544213873534 0.500228578174 0.416015786887} O2 4 1
8 {} {0.293510538089 0.350375159705 0.676348654136} O3 5 1
14 {} {0.253836277003 0.506554624229 0.704560042195} Si3 6 1
14 {} {0.56285000373 0.663140739483 0.399445708414} Si4 7 1
1 {} {0.340224174679 0.104779499647 0.650123696122} H1 8 1
1 {} {0.21581700372 0.218915292777 0.471478378535} H2 9 1
1 {} {0.647886382564 0.290451039826 0.316692738416} H3 10 1
1 {} {0.693611574174 0.345013888602 0.55402900441} H4 11 1
1 {} {0.110732350579 0.51706641975 0.743306214838} H5 12 1
1 {} {0.341134701726 0.556061353006 0.813631462016} H6 13 1
1 {} {0.434027084271 0.732807099496 0.420662316262} H7 14 1
1 {} {0.609812571591 0.691204493731 0.259475356892} H8 15 1
1 {} {0.66369521547 0.711887282587 0.49860573297} H10 16 1
8 {} {0.283655963836 0.588676954872 0.564516199109} O 17 1
1 {} {0.231444343826 0.665938070924 0.538968365615} 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