iterations/neb0_image08_iter226.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 {} {0.47218494773 0.22510171825 0.493224295113} O1 1 1
14 {} {0.330771896739 0.218622092097 0.57659953645} Si1 2 1
14 {} {0.613848572178 0.296748170277 0.451551880567} Si2 3 1
8 {} {0.593540656124 0.456594869995 0.418298743048} O2 4 1
8 {} {0.312892942874 0.349041093574 0.676108302765} O3 5 1
14 {} {0.300357305504 0.513462685741 0.668792092119} Si3 6 1
14 {} {0.51185122779 0.596146189134 0.448244983126} Si4 7 1
1 {} {0.331884250058 0.0969468522905 0.661641728492} H1 8 1
1 {} {0.21943874684 0.215430314289 0.477794240931} H2 9 1
1 {} {0.663296330744 0.230173634462 0.328193005929} H3 10 1
1 {} {0.710518911073 0.283731494215 0.564703291967} H4 11 1
1 {} {0.15742264364 0.553429613231 0.659008449789} H5 12 1
1 {} {0.366198212741 0.56853730503 0.790629084716} H6 13 1
1 {} {0.310404221086 0.910877403127 0.475501695688} H7 14 1
1 {} {0.472002346984 0.652730832017 0.316523007935} H8 15 1
1 {} {0.599356907073 0.686897560518 0.527258673256} H10 16 1
8 {} {0.374278338742 0.570120934032 0.53348003127} O 17 1
1 {} {0.269837806578 0.84792510578 0.463504668293} 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