iterations/neb0_image07_iter164.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 {} {0.470398676216 0.241289922931 0.492193404934} O1 1 1
14 {} {0.332659373013 0.222672852153 0.578081701609} Si1 2 1
14 {} {0.616559679547 0.305027545057 0.451549288932} Si2 3 1
8 {} {0.598694012179 0.466669491677 0.418401087423} O2 4 1
8 {} {0.305854460215 0.348391232384 0.682015708749} O3 5 1
14 {} {0.29064149608 0.510378304039 0.656957205766} Si3 6 1
14 {} {0.495930217156 0.593695789698 0.43884597343} Si4 7 1
1 {} {0.342534481052 0.100370928141 0.661580027181} H1 8 1
1 {} {0.221747331863 0.214324851872 0.478837921408} H2 9 1
1 {} {0.664447408692 0.235862639535 0.329106667782} H3 10 1
1 {} {0.713013986141 0.282108100924 0.563985285355} H4 11 1
1 {} {0.147084591494 0.548170114793 0.658468755027} H5 12 1
1 {} {0.369552590279 0.58579289902 0.758414058167} H6 13 1
1 {} {0.348345487695 0.893260111993 0.491694504782} H7 14 1
1 {} {0.454934606185 0.65377327578 0.309209298364} H8 15 1
1 {} {0.565377678412 0.691115519163 0.527128648359} H10 16 1
8 {} {0.353832574433 0.54524565403 0.507818333818} O 17 1
1 {} {0.318477336923 0.834368585884 0.526769966355} 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
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2 0 0 0
14 6 0 0
16 5 0 2
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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
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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