iterations/neb0_image07_iter136.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470055503262 0.230650198571 0.492434152005} O1 1 1
14 {} {0.330134369576 0.222368388497 0.578223141085} Si1 2 1
14 {} {0.608275772772 0.308164881336 0.448717302576} Si2 3 1
8 {} {0.58283858363 0.467356978884 0.412709047612} O2 4 1
8 {} {0.318319296482 0.351764194512 0.679463095096} O3 5 1
14 {} {0.29614509542 0.514411386678 0.66506669664} Si3 6 1
14 {} {0.501976269459 0.605261088858 0.447373371644} Si4 7 1
1 {} {0.33230412492 0.0990839400485 0.660091692902} H1 8 1
1 {} {0.215889144463 0.220272200495 0.48268391104} H2 9 1
1 {} {0.659694467222 0.238696500353 0.327384126802} H3 10 1
1 {} {0.705793630279 0.30330095157 0.561841739166} H4 11 1
1 {} {0.150765336668 0.544209220235 0.659961816523} H5 12 1
1 {} {0.364092428585 0.580339000279 0.779991701497} H6 13 1
1 {} {0.348537300608 0.851425737624 0.456200523465} H7 14 1
1 {} {0.459954487929 0.673625823466 0.32246603952} H8 15 1
1 {} {0.587947553077 0.691947849217 0.531920763879} H10 16 1
8 {} {0.361136076737 0.568653695761 0.525380263061} O 17 1
1 {} {0.316226621738 0.800985843563 0.499148526937} 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
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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