iterations/neb0_image04_iter56.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 {} {0.467782865324 0.226410212988 0.482057488895} O1 1 1
14 {} {0.330753605736 0.234404373263 0.572492821621} Si1 2 1
14 {} {0.587528997583 0.332381234629 0.438372749226} Si2 3 1
8 {} {0.521335805996 0.478134794449 0.400201186194} O2 4 1
8 {} {0.330680471436 0.368726438437 0.667055688863} O3 5 1
14 {} {0.277712522986 0.520281153368 0.7003441583} Si3 6 1
14 {} {0.521869582583 0.643402328747 0.404841578675} Si4 7 1
1 {} {0.331394710151 0.118563671453 0.665092451383} H1 8 1
1 {} {0.212746333595 0.233266271475 0.480658066105} H2 9 1
1 {} {0.654096232414 0.270140350015 0.319801230318} H3 10 1
1 {} {0.686809388096 0.34694418778 0.550867184379} H4 11 1
1 {} {0.128898414796 0.527190491791 0.70289646141} H5 12 1
1 {} {0.338874662052 0.563759832774 0.828511067651} H6 13 1
1 {} {0.39571620071 0.724465716324 0.397139068427} H7 14 1
1 {} {0.578373336643 0.68508199226 0.274585439298} H8 15 1
1 {} {0.59969368326 0.692096408084 0.523294722931} H10 16 1
8 {} {0.336609882242 0.610402001721 0.578092754016} O 17 1
1 {} {0.309209432916 0.696866508169 0.544753889613} 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