./iterations/neb0_image09_iter253.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472469806275 0.214152931794 0.49458216267} O1 1 1
14 {} {0.333309507436 0.214823498468 0.581620632608} Si1 2 1
14 {} {0.606695858974 0.295121019952 0.445970778241} Si2 3 1
8 {} {0.570436341851 0.450425939375 0.406807661119} O2 4 1
8 {} {0.32279442142 0.350248278437 0.674661404682} O3 5 1
14 {} {0.3006546793 0.513101998249 0.672103341087} Si3 6 1
14 {} {0.511919017869 0.597027064589 0.452505904845} Si4 7 1
1 {} {0.334076600536 0.0976156294688 0.672498085514} H1 8 1
1 {} {0.219135333619 0.210198123873 0.486152033519} H2 9 1
1 {} {0.65889243235 0.228501798492 0.324105602553} H3 10 1
1 {} {0.706244748704 0.294002189646 0.556878411138} H4 11 1
1 {} {0.155911081868 0.544493776894 0.659482833585} H5 12 1
1 {} {0.359157744335 0.566995249369 0.797805208457} H6 13 1
1 {} {0.31465882814 0.916790824934 0.434630862817} H7 14 1
1 {} {0.475401394256 0.672551734302 0.329916732329} H8 15 1
1 {} {0.615158893047 0.667305495496 0.5339635728} H10 16 1
8 {} {0.375043083317 0.580248639632 0.54189696994} O 17 1
1 {} {0.27812638308 0.858913737222 0.465475445787} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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