./iterations/neb0_image06_iter296.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.461701550127 0.278315977747 0.490035981476} O1 1 1
14 {} {0.318495289438 0.230683957359 0.554119614246} Si1 2 1
14 {} {0.607889489746 0.353648194875 0.479188131682} Si2 3 1
8 {} {0.592589763633 0.49856655652 0.554065330217} O2 4 1
8 {} {0.230662329062 0.351538659937 0.626782950463} O3 5 1
14 {} {0.266150898539 0.507647915614 0.66578071744} Si3 6 1
14 {} {0.497431799232 0.609378085636 0.474552962547} Si4 7 1
1 {} {0.345649929122 0.135551881633 0.663625473785} H1 8 1
1 {} {0.240417404236 0.171949573305 0.442074250574} H2 9 1
1 {} {0.633737639478 0.384440859232 0.33477317363} H3 10 1
1 {} {0.715250296314 0.273945859007 0.543661865339} H4 11 1
1 {} {0.141824305896 0.576860005412 0.717767467872} H5 12 1
1 {} {0.375872881683 0.521691927956 0.764677980745} H6 13 1
1 {} {0.416925952772 0.76756645483 0.458262863655} H7 14 1
1 {} {0.475332678139 0.586917614688 0.331697990096} H8 15 1
1 {} {0.601974524706 0.720613890977 0.469226035995} H10 16 1
8 {} {0.335297905149 0.575769941825 0.532300753521} O 17 1
1 {} {0.352881548613 0.727430956187 0.42846494797} 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