iterations/neb0_image06_iter239.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 {} {0.474765960576 0.233645147422 0.491776814724} O1 1 1
14 {} {0.327614981642 0.216645383052 0.564496233786} Si1 2 1
14 {} {0.607123615071 0.325244923922 0.463958637359} Si2 3 1
8 {} {0.579643688018 0.484876996318 0.49404732855} O2 4 1
8 {} {0.283614378023 0.351814171159 0.647226989934} O3 5 1
14 {} {0.283240430468 0.514957301674 0.649708016878} Si3 6 1
14 {} {0.48927569234 0.614976425974 0.450207006598} Si4 7 1
1 {} {0.335817490635 0.108120616373 0.664254858344} H1 8 1
1 {} {0.228490280535 0.185659701753 0.458789036142} H2 9 1
1 {} {0.648148510021 0.314349218607 0.32009988124} H3 10 1
1 {} {0.714580470893 0.284851485149 0.559315518741} H4 11 1
1 {} {0.146327515744 0.548024067477 0.702205929548} H5 12 1
1 {} {0.385080194052 0.573351940663 0.74019832028} H6 13 1
1 {} {0.389146158599 0.809901990123 0.525555921542} H7 14 1
1 {} {0.47345324218 0.636171480706 0.303711798945} H8 15 1
1 {} {0.59244178714 0.718882560528 0.48952902114} H10 16 1
8 {} {0.328479840252 0.577443582803 0.502905697813} O 17 1
1 {} {0.322841721106 0.773600991687 0.503071187011} 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