./iterations/neb0_image03_iter123.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.466071876913 0.240369773781 0.486054193703} O1 1 1
14 {} {0.328716707718 0.235651843898 0.575465911423} Si1 2 1
14 {} {0.58712241718 0.338533285363 0.433882544011} Si2 3 1
8 {} {0.526582298854 0.48217092265 0.384624314715} O2 4 1
8 {} {0.321645996273 0.361655340134 0.680240124865} O3 5 1
14 {} {0.269738239229 0.513156016956 0.714698226853} Si3 6 1
14 {} {0.538818127034 0.646909851696 0.379833114877} Si4 7 1
1 {} {0.330655074822 0.110131842693 0.655269677709} H1 8 1
1 {} {0.210796950047 0.239517867102 0.484382961367} H2 9 1
1 {} {0.650428931673 0.270324379995 0.318104372067} H3 10 1
1 {} {0.683067892573 0.360856805892 0.545902412636} H4 11 1
1 {} {0.121001233155 0.515212229905 0.723069691778} H5 12 1
1 {} {0.331945420986 0.553912824287 0.843653336523} H6 13 1
1 {} {0.405343232899 0.709830913039 0.35290556216} H7 14 1
1 {} {0.630205500486 0.682379515803 0.266912072935} H8 15 1
1 {} {0.595200829051 0.700645227337 0.507384819526} H10 16 1
8 {} {0.321093684476 0.609253427065 0.590455164224} O 17 1
1 {} {0.291651722672 0.702005926471 0.588219441343} 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