./iterations/neb0_image05_iter160.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.475068713696 0.23214106171 0.486071046497} O1 1 1
14 {} {0.330638802722 0.226691886113 0.565613790307} Si1 2 1
14 {} {0.595035251886 0.341825621762 0.460058213911} Si2 3 1
8 {} {0.53565076792 0.495179005727 0.477790466342} O2 4 1
8 {} {0.301798968573 0.362711005088 0.652734515567} O3 5 1
14 {} {0.258809092382 0.520530148714 0.66510962221} Si3 6 1
14 {} {0.548209679554 0.653974699852 0.435322113358} Si4 7 1
1 {} {0.336583856433 0.115006735384 0.662195094433} H1 8 1
1 {} {0.22533275378 0.20401557378 0.463206285595} H2 9 1
1 {} {0.648772599115 0.318659949692 0.321237274134} H3 10 1
1 {} {0.701392178343 0.314679280622 0.56253567809} H4 11 1
1 {} {0.131933674598 0.529109476793 0.743105799823} H5 12 1
1 {} {0.368881124575 0.588915938093 0.739754518471} H6 13 1
1 {} {0.450307073327 0.73887228019 0.511229413022} H7 14 1
1 {} {0.516333884129 0.661942550858 0.291333618689} H8 15 1
1 {} {0.683079283469 0.706006003206 0.475149964787} H10 16 1
8 {} {0.23540769181 0.584882250893 0.513696242865} O 17 1
1 {} {0.266850621981 0.677374457761 0.504914458752} 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