iterations/neb0_image08_iter24.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 {} {0.471213078687 0.219726355652 0.489215312973} O1 1 1
14 {} {0.334394571923 0.22366582332 0.581636752352} Si1 2 1
14 {} {0.601667847128 0.306489787268 0.442115364172} Si2 3 1
8 {} {0.553513986261 0.458018384373 0.398781997264} O2 4 1
8 {} {0.329966806377 0.359012556074 0.672114855172} O3 5 1
14 {} {0.293851632366 0.518875248392 0.674985768263} Si3 6 1
14 {} {0.5053540053 0.605521781274 0.446875837953} Si4 7 1
1 {} {0.337065024001 0.106836088505 0.674714761677} H1 8 1
1 {} {0.216553676655 0.218983856276 0.488923104772} H2 9 1
1 {} {0.662149694835 0.23314677949 0.326551964876} H3 10 1
1 {} {0.699491803677 0.316188363169 0.55490901643} H4 11 1
1 {} {0.146226599258 0.528229533591 0.67732672565} H5 12 1
1 {} {0.34424514031 0.566327002436 0.805282904816} H6 13 1
1 {} {0.330702709919 0.842939770695 0.414382013151} H7 14 1
1 {} {0.498760269752 0.677189279228 0.319465366959} H8 15 1
1 {} {0.602430987406 0.671066103786 0.533905265349} H10 16 1
8 {} {0.365199297125 0.590325269186 0.541685049561} O 17 1
1 {} {0.317299008957 0.829975984805 0.488185947468} 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