./iterations/neb0_image01_iter133.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467035328701 0.246125956119 0.474686319053} O1 1 1
14 {} {0.327827262189 0.250044597999 0.561909912299} Si1 2 1
14 {} {0.598592046728 0.333050147929 0.429175281295} Si2 3 1
8 {} {0.554112794298 0.475979215759 0.361984126268} O2 4 1
8 {} {0.329562357893 0.379090467709 0.662989922628} O3 5 1
14 {} {0.260941862091 0.514298020541 0.726997307661} Si3 6 1
14 {} {0.533179322127 0.638815865095 0.36971578984} Si4 7 1
1 {} {0.321643555374 0.125752767587 0.643226050631} H1 8 1
1 {} {0.212503273699 0.259781011499 0.468187794511} H2 9 1
1 {} {0.669833159989 0.253547943928 0.325886933861} H3 10 1
1 {} {0.683359514838 0.360101685355 0.548825772594} H4 11 1
1 {} {0.115711419214 0.491739398633 0.74873106775} H5 12 1
1 {} {0.335217077483 0.542072957205 0.853005907869} H6 13 1
1 {} {0.392143194365 0.672926670573 0.335710239173} H7 14 1
1 {} {0.625961065413 0.705220450767 0.274126769936} H8 15 1
1 {} {0.562962529344 0.688642339014 0.508198841012} H10 16 1
8 {} {0.267859447479 0.643838436385 0.624338714456} O 17 1
1 {} {0.351640867483 0.691490024395 0.613361218198} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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