./iterations/neb0_image09_iter187.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 {} {0.471980180257 0.216314674918 0.494067097693} O1 1 1
14 {} {0.333533043898 0.215456061261 0.582165389128} Si1 2 1
14 {} {0.605546455608 0.298153764973 0.444490243292} Si2 3 1
8 {} {0.568158122892 0.452163713616 0.401309721231} O2 4 1
8 {} {0.323224557395 0.349317422163 0.677724919569} O3 5 1
14 {} {0.29933535363 0.511959671509 0.672859114541} Si3 6 1
14 {} {0.510606241533 0.597511633648 0.452361656341} Si4 7 1
1 {} {0.335649033813 0.0971269150994 0.671514955235} H1 8 1
1 {} {0.218222747076 0.212714170111 0.487866458665} H2 9 1
1 {} {0.659491962724 0.229178877283 0.324677988377} H3 10 1
1 {} {0.704508184543 0.302213808829 0.555876967279} H4 11 1
1 {} {0.154026934898 0.540945653477 0.659346847693} H5 12 1
1 {} {0.35563216437 0.568310357578 0.798427139815} H6 13 1
1 {} {0.318656412751 0.90517874856 0.426252882488} H7 14 1
1 {} {0.474188715469 0.675733394315 0.331829460497} H8 15 1
1 {} {0.614876608711 0.665782037187 0.533993060278} H10 16 1
8 {} {0.374741501266 0.578064345581 0.543009011515} O 17 1
1 {} {0.287707883963 0.856392674605 0.47328479073} 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