iterations/neb0_image02_iter157.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464027173205 0.250157431463 0.488853879012} O1 1 1
14 {} {0.328658439055 0.239588209999 0.580356890726} Si1 2 1
14 {} {0.586448159252 0.342004359967 0.430423331329} Si2 3 1
8 {} {0.529032141922 0.483805495648 0.370877455973} O2 4 1
8 {} {0.320025300766 0.363126656952 0.687970696204} O3 5 1
14 {} {0.252998758044 0.509440532649 0.724072817252} Si3 6 1
14 {} {0.54889592122 0.647140465929 0.364258155936} Si4 7 1
1 {} {0.335779253497 0.11194283714 0.656050215042} H1 8 1
1 {} {0.211293663461 0.242974689256 0.489645115792} H2 9 1
1 {} {0.649805324465 0.266847268734 0.319803261868} H3 10 1
1 {} {0.684430260006 0.37128863283 0.538397700697} H4 11 1
1 {} {0.106430006809 0.491828305847 0.741288658531} H5 12 1
1 {} {0.320744311402 0.557493568542 0.84807683804} H6 13 1
1 {} {0.418909726224 0.708738100543 0.324793390658} H7 14 1
1 {} {0.655285668397 0.68317704342 0.26558592395} H8 15 1
1 {} {0.588273424303 0.701603055461 0.498302474585} H10 16 1
8 {} {0.268418673001 0.618497513854 0.60090619525} O 17 1
1 {} {0.340629883129 0.682863764295 0.601395137499} 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