./iterations/neb0_image07_iter144.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 {} {0.471412344675 0.236579611976 0.492685118245} O1 1 1
14 {} {0.331543134331 0.222667559756 0.577454357737} Si1 2 1
14 {} {0.612277046551 0.307570288988 0.449882502433} Si2 3 1
8 {} {0.594363522277 0.467596936338 0.417963995975} O2 4 1
8 {} {0.313938852413 0.351326372646 0.678895502079} O3 5 1
14 {} {0.293298002374 0.513120705636 0.661623510719} Si3 6 1
14 {} {0.498433871651 0.600746850546 0.443626076898} Si4 7 1
1 {} {0.335603146497 0.0987167428985 0.660159484817} H1 8 1
1 {} {0.217515160811 0.216826383709 0.480862722386} H2 9 1
1 {} {0.661403644334 0.235368539423 0.330641404802} H3 10 1
1 {} {0.708251830468 0.292541023324 0.561218408164} H4 11 1
1 {} {0.149576255937 0.546173093168 0.657985106275} H5 12 1
1 {} {0.368234296896 0.584618616283 0.767177541614} H6 13 1
1 {} {0.349358467569 0.868836409866 0.471875292394} H7 14 1
1 {} {0.450367440763 0.667612835953 0.320757481922} H8 15 1
1 {} {0.579297584525 0.692063669237 0.529789840795} H10 16 1
8 {} {0.357112137159 0.557618837185 0.516498489206} O 17 1
1 {} {0.318099291853 0.812533368501 0.511961046524} 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