./iterations/neb0_image01_iter290.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 {} {0.460396719472 0.259770991395 0.48098262118} O1 1 1
14 {} {0.327330391129 0.246652921206 0.57499120521} Si1 2 1
14 {} {0.592885672189 0.340018959501 0.427262638729} Si2 3 1
8 {} {0.550465103616 0.479695823722 0.352650270181} O2 4 1
8 {} {0.322797683957 0.365631576359 0.687862630732} O3 5 1
14 {} {0.25456191308 0.509918281996 0.729605658034} Si3 6 1
14 {} {0.540930516251 0.643930811862 0.358909277699} Si4 7 1
1 {} {0.334740003975 0.115960015602 0.645209456863} H1 8 1
1 {} {0.207261744414 0.255251149814 0.487503576878} H2 9 1
1 {} {0.659752641068 0.253089996672 0.327707430929} H3 10 1
1 {} {0.682071335377 0.371655917547 0.542298411243} H4 11 1
1 {} {0.107698544412 0.492540125516 0.741011184584} H5 12 1
1 {} {0.318205381571 0.551810542129 0.857369092801} H6 13 1
1 {} {0.41089657989 0.687301225871 0.301704286668} H7 14 1
1 {} {0.653568089835 0.704153949699 0.281825458168} H8 15 1
1 {} {0.550169452406 0.690647663472 0.501257301387} H10 16 1
8 {} {0.277411648455 0.626086867331 0.614593267663} O 17 1
1 {} {0.358942507403 0.678400752863 0.618314113328} 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