iterations/neb0_image08_iter8.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470922670615 0.220137405975 0.491953439615} O1 1 1
14 {} {0.334705228111 0.220128712154 0.582198698342} Si1 2 1
14 {} {0.603842734565 0.301244893446 0.442920542405} Si2 3 1
8 {} {0.562912526627 0.453943717482 0.392255079397} O2 4 1
8 {} {0.328171308677 0.357538369879 0.674665133833} O3 5 1
14 {} {0.289638251217 0.517294559126 0.679574095211} Si3 6 1
14 {} {0.501262925368 0.60050090996 0.445480684722} Si4 7 1
1 {} {0.339164125325 0.108779839763 0.678197276624} H1 8 1
1 {} {0.21744944214 0.21533727402 0.492119404953} H2 9 1
1 {} {0.661140215459 0.22970644434 0.326453703423} H3 10 1
1 {} {0.700957671251 0.312834143934 0.555190335302} H4 11 1
1 {} {0.138328801821 0.524502822657 0.676988157496} H5 12 1
1 {} {0.345240583988 0.565510677044 0.811025311017} H6 13 1
1 {} {0.327663591003 0.854425034543 0.416842072425} H7 14 1
1 {} {0.511170569588 0.681991272518 0.307904894343} H8 15 1
1 {} {0.602075953397 0.669842453763 0.529358231057} H10 16 1
8 {} {0.361353320792 0.599864899231 0.544305208286} O 17 1
1 {} {0.314086229583 0.838934530385 0.483625729734} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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