./iterations/neb0_image01_iter266.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 {} {0.462164037068 0.259860729268 0.479989636574} O1 1 1
14 {} {0.327281473555 0.248825768436 0.572442244194} Si1 2 1
14 {} {0.594999775333 0.339139082393 0.426389531489} Si2 3 1
8 {} {0.554125957328 0.478256527023 0.349646747892} O2 4 1
8 {} {0.321678570556 0.368452455219 0.684777205343} O3 5 1
14 {} {0.254022492392 0.511081988909 0.732432067591} Si3 6 1
14 {} {0.540533391913 0.64209120623 0.35864124702} Si4 7 1
1 {} {0.332650007874 0.118781047015 0.643887176761} H1 8 1
1 {} {0.208080851256 0.257514186624 0.483729043659} H2 9 1
1 {} {0.661853411408 0.251608665357 0.326956442753} H3 10 1
1 {} {0.682806653299 0.372121394759 0.542403788887} H4 11 1
1 {} {0.107217603671 0.493978285145 0.745599536296} H5 12 1
1 {} {0.320440488584 0.547734874316 0.860630943513} H6 13 1
1 {} {0.408115328872 0.682470122987 0.304166664675} H7 14 1
1 {} {0.650840924299 0.705371300647 0.281199023161} H8 15 1
1 {} {0.551811345327 0.68788298993 0.501137389544} H10 16 1
8 {} {0.272814550477 0.631056386506 0.620320195705} O 17 1
1 {} {0.358649042449 0.676290666254 0.616709011829} 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