./iterations/neb0_image06_iter100.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470206741636 0.223608378404 0.490979142096} O1 1 1
14 {} {0.330612446552 0.222920906972 0.577780082002} Si1 2 1
14 {} {0.595919781716 0.320840316441 0.446485134248} Si2 3 1
8 {} {0.54980044248 0.472008579502 0.408718384486} O2 4 1
8 {} {0.324913843248 0.353038961384 0.679106374884} O3 5 1
14 {} {0.29479201709 0.514770772213 0.675452774514} Si3 6 1
14 {} {0.496100036892 0.621805022798 0.446302097765} Si4 7 1
1 {} {0.327246451311 0.0994234296328 0.660694966949} H1 8 1
1 {} {0.214802860303 0.229905433707 0.484078892808} H2 9 1
1 {} {0.65355547218 0.26757911432 0.32105885132} H3 10 1
1 {} {0.692731962586 0.326666197618 0.559644529077} H4 11 1
1 {} {0.147708867068 0.540334210194 0.66908977115} H5 12 1
1 {} {0.356663715699 0.573262773909 0.797772323779} H6 13 1
1 {} {0.368529314498 0.797416176043 0.442341922846} H7 14 1
1 {} {0.502004365769 0.678691245104 0.307291859693} H8 15 1
1 {} {0.593993477028 0.69592147213 0.531564226202} H10 16 1
8 {} {0.3608656202 0.583214767477 0.541243840755} O 17 1
1 {} {0.329638681624 0.751110212681 0.49145282795} 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