iterations/neb0_image04_iter269.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467318372334 0.2623254469 0.491759232521} O1 1 1
14 {} {0.326533337524 0.230106259082 0.567630493344} Si1 2 1
14 {} {0.599243030526 0.34818591355 0.448443183631} Si2 3 1
8 {} {0.561011399495 0.505599737659 0.430121503786} O2 4 1
8 {} {0.281308661219 0.348749092844 0.670406377535} O3 5 1
14 {} {0.237409557732 0.504165277682 0.699269014652} Si3 6 1
14 {} {0.58511176919 0.665992368372 0.401947071806} Si4 7 1
1 {} {0.343821339322 0.106838572837 0.648574687906} H1 8 1
1 {} {0.220827106072 0.214053733634 0.464449651646} H2 9 1
1 {} {0.648914891559 0.293738367441 0.319422239581} H3 10 1
1 {} {0.701495893215 0.335728226592 0.555771723639} H4 11 1
1 {} {0.106482485681 0.504507416104 0.771424372584} H5 12 1
1 {} {0.342708439584 0.566895169524 0.783623734916} H6 13 1
1 {} {0.462970312398 0.741075933762 0.442343094726} H7 14 1
1 {} {0.612140606871 0.686778000903 0.256988584914} H8 15 1
1 {} {0.702499651039 0.714803849264 0.480600930954} H10 16 1
8 {} {0.226021325624 0.577923376142 0.551859556194} O 17 1
1 {} {0.18426775922 0.665051035475 0.546422840799} 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
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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