iterations/neb0_image06_iter156.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 {} {0.472956738054 0.231878274114 0.482983136371} O1 1 1
14 {} {0.331596091201 0.222303374394 0.56866927939} Si1 2 1
14 {} {0.609164894076 0.316118553401 0.45102807072} Si2 3 1
8 {} {0.570194769767 0.473106914052 0.441565302495} O2 4 1
8 {} {0.305002518124 0.355026278657 0.662460309741} O3 5 1
14 {} {0.282366720508 0.517237327214 0.659133966691} Si3 6 1
14 {} {0.485257823611 0.611554669995 0.446602803708} Si4 7 1
1 {} {0.335820175203 0.105834556071 0.66161206455} H1 8 1
1 {} {0.224939482416 0.210358753075 0.465505557751} H2 9 1
1 {} {0.66316378342 0.280446879308 0.316350742959} H3 10 1
1 {} {0.707375761668 0.300040850976 0.563740337012} H4 11 1
1 {} {0.140167381976 0.539114569474 0.699892174468} H5 12 1
1 {} {0.372625623015 0.585690886738 0.753647411077} H6 13 1
1 {} {0.395503747048 0.817487560396 0.51113633038} H7 14 1
1 {} {0.471790139118 0.657558579263 0.304788860056} H8 15 1
1 {} {0.579731918593 0.700046736067 0.520680970662} H10 16 1
8 {} {0.33197009424 0.572196724788 0.510256017258} O 17 1
1 {} {0.330458284567 0.776516343122 0.511004684009} 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