./iterations/neb0_image09_iter8.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 {} {0.471607623157 0.215386224484 0.496217404986} O1 1 1
14 {} {0.33635743765 0.216125637902 0.587905598326} Si1 2 1
14 {} {0.604137596956 0.297309803237 0.44446108266} Si2 3 1
8 {} {0.563504392124 0.450131686838 0.397617376418} O2 4 1
8 {} {0.326750472306 0.355812194549 0.675836827098} O3 5 1
14 {} {0.293196853961 0.516729917228 0.671633913749} Si3 6 1
14 {} {0.503444467269 0.596581694493 0.449078138374} Si4 7 1
1 {} {0.343381549494 0.105851369582 0.685966933029} H1 8 1
1 {} {0.218340539257 0.205865939129 0.49847842739} H2 9 1
1 {} {0.658182862899 0.22594514435 0.32613879248} H3 10 1
1 {} {0.703767547355 0.305325010214 0.555113637607} H4 11 1
1 {} {0.143748293259 0.531244744961 0.662550852916} H5 12 1
1 {} {0.345992178146 0.571818704436 0.800670759058} H6 13 1
1 {} {0.320723374158 0.887542980967 0.415175248868} H7 14 1
1 {} {0.495536375981 0.676243882539 0.317603072422} H8 15 1
1 {} {0.60775275925 0.664588311078 0.531115069966} H10 16 1
8 {} {0.368418242806 0.589780324372 0.53826131219} O 17 1
1 {} {0.30524358257 0.86023439027 0.477233553118} 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