./iterations/neb0_image04_iter4.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469506768025 0.23352754851 0.481050095018} O1 1 1
14 {} {0.330575554578 0.238179152387 0.56910230404} Si1 2 1
14 {} {0.603228048643 0.314307693378 0.43786213454} Si2 3 1
8 {} {0.563257233515 0.46519075547 0.377655647633} O2 4 1
8 {} {0.331546080243 0.364845177809 0.662245773114} O3 5 1
14 {} {0.27274312619 0.515059383475 0.713890463869} Si3 6 1
14 {} {0.518481547441 0.621695321869 0.400166884669} Si4 7 1
1 {} {0.3270514917 0.11894259163 0.656760646708} H1 8 1
1 {} {0.215560386205 0.2419343338 0.475679510102} H2 9 1
1 {} {0.668786831464 0.239883961965 0.328391633046} H3 10 1
1 {} {0.692291874466 0.332905523041 0.554780645981} H4 11 1
1 {} {0.128610156185 0.50364704365 0.715484944055} H5 12 1
1 {} {0.343300392838 0.546406644823 0.83466574367} H6 13 1
1 {} {0.361888164337 0.767186621804 0.362465734368} H7 14 1
1 {} {0.568930116804 0.694971735808 0.285521666962} H8 15 1
1 {} {0.578548079642 0.680303672555 0.517719802049} H10 16 1
8 {} {0.311562281146 0.635767537701 0.591722239358} O 17 1
1 {} {0.324218004035 0.757763258408 0.565892133236} 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