./iterations/neb0_image08_iter129.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 {} {0.470714035613 0.221400791031 0.490204131523} O1 1 1
14 {} {0.331419184732 0.220520473754 0.57681097622} Si1 2 1
14 {} {0.605729362266 0.304990986779 0.446060896661} Si2 3 1
8 {} {0.569724254592 0.459351541275 0.403129689249} O2 4 1
8 {} {0.32456171684 0.350079857274 0.679143101435} O3 5 1
14 {} {0.300246613083 0.512700550852 0.675877595623} Si3 6 1
14 {} {0.508827359631 0.603936555578 0.453358060432} Si4 7 1
1 {} {0.328401952559 0.0977526470742 0.659915580389} H1 8 1
1 {} {0.216147800231 0.226331105201 0.482452910876} H2 9 1
1 {} {0.662322750775 0.236386625661 0.326865065947} H3 10 1
1 {} {0.701968609065 0.310699121833 0.560397096612} H4 11 1
1 {} {0.15484857192 0.541517929495 0.664263987322} H5 12 1
1 {} {0.358040087432 0.568681630337 0.800930137126} H6 13 1
1 {} {0.331628056843 0.864767082758 0.430266809765} H7 14 1
1 {} {0.472044808373 0.678157870146 0.330491554309} H8 15 1
1 {} {0.609057887749 0.678350403005 0.535550100982} H10 16 1
8 {} {0.373539877683 0.580019549786 0.54380846428} O 17 1
1 {} {0.290863255145 0.816873250086 0.471531760048} 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