iterations/neb0_image07_iter42.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.46957431335 0.221706107401 0.482831692911} O1 1 1
14 {} {0.332606464431 0.226259454658 0.571226340043} Si1 2 1
14 {} {0.598797326252 0.313063276859 0.442022791464} Si2 3 1
8 {} {0.547483847053 0.461963117781 0.399999315109} O2 4 1
8 {} {0.333416861269 0.35776823568 0.670363329335} O3 5 1
14 {} {0.296869155622 0.515308422715 0.679321008123} Si3 6 1
14 {} {0.500689828402 0.610372606168 0.45384942738} Si4 7 1
1 {} {0.329429574062 0.109517778901 0.659759184847} H1 8 1
1 {} {0.216122653246 0.233662343933 0.480479493905} H2 9 1
1 {} {0.663398803777 0.248661185469 0.327111295312} H3 10 1
1 {} {0.693270557588 0.329555642842 0.554088776221} H4 11 1
1 {} {0.148600386348 0.532023559609 0.68393867744} H5 12 1
1 {} {0.348017121542 0.567867539867 0.809273885499} H6 13 1
1 {} {0.343478222005 0.808127937601 0.416505341089} H7 14 1
1 {} {0.493158324709 0.682901708758 0.32212502468} H8 15 1
1 {} {0.600814395351 0.681752364809 0.541926152625} H10 16 1
8 {} {0.364361518064 0.589915233223 0.549073428591} O 17 1
1 {} {0.329996797862 0.782091448873 0.487162820647} 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