iterations/neb0_image06_iter238.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 {} {0.474794488129 0.231607052348 0.490088345595} O1 1 1
14 {} {0.328945311166 0.21694930256 0.564672703849} Si1 2 1
14 {} {0.60756382936 0.322831750572 0.462255471886} Si2 3 1
8 {} {0.577951765703 0.481856504357 0.486368366966} O2 4 1
8 {} {0.28862885078 0.351891225175 0.649409015202} O3 5 1
14 {} {0.283780822735 0.515269334935 0.650564379517} Si3 6 1
14 {} {0.489348626497 0.614109229114 0.448970802645} Si4 7 1
1 {} {0.33528140922 0.10755632373 0.663199333299} H1 8 1
1 {} {0.227280740564 0.189617984676 0.460706282368} H2 9 1
1 {} {0.649855402428 0.307161695385 0.320551832503} H3 10 1
1 {} {0.713561353509 0.288244484515 0.559905112631} H4 11 1
1 {} {0.145939153273 0.54662400318 0.700366526602} H5 12 1
1 {} {0.383945306663 0.574529367552 0.742598011256} H6 13 1
1 {} {0.388950095018 0.810972781443 0.525079514089} H7 14 1
1 {} {0.472183805036 0.642419944364 0.304600606532} H8 15 1
1 {} {0.590749764151 0.716944316064 0.493963313504} H10 16 1
8 {} {0.329124287636 0.577542235401 0.503081107676} O 17 1
1 {} {0.32220093982 0.77639042234 0.504677440941} 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