./iterations/neb0_image09_iter124.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47196226685 0.214447215063 0.494161467103} O1 1 1
14 {} {0.335155962695 0.216227974982 0.585249174157} Si1 2 1
14 {} {0.603579610959 0.299259303385 0.44461117873} Si2 3 1
8 {} {0.561991897608 0.452153479813 0.400689192326} O2 4 1
8 {} {0.32699744367 0.353001268028 0.676572791047} O3 5 1
14 {} {0.297278802918 0.514819923493 0.670557964087} Si3 6 1
14 {} {0.508079799364 0.598837709642 0.451273326155} Si4 7 1
1 {} {0.338808762872 0.100756778425 0.678356080182} H1 8 1
1 {} {0.217873406986 0.210543045239 0.493631003803} H2 9 1
1 {} {0.658928148858 0.23112853081 0.324922819831} H3 10 1
1 {} {0.702403451167 0.30704125608 0.55617087768} H4 11 1
1 {} {0.15112457352 0.538596880916 0.656975578578} H5 12 1
1 {} {0.35170543484 0.574307758674 0.795603933184} H6 13 1
1 {} {0.32270220947 0.88403467718 0.415411427057} H7 14 1
1 {} {0.475939315584 0.677787168129 0.330011128112} H8 15 1
1 {} {0.612235074161 0.664646857298 0.535541942408} H10 16 1
8 {} {0.370062018082 0.58244698407 0.540036825265} O 17 1
1 {} {0.303257969293 0.852481164895 0.481281246654} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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