./iterations/neb0_image06_iter19.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 {} {0.469539793558 0.226466488937 0.482497955966} O1 1 1
14 {} {0.331278582453 0.232132815927 0.574417687267} Si1 2 1
14 {} {0.602025392971 0.313035028493 0.438970580078} Si2 3 1
8 {} {0.553422238436 0.466199078275 0.387646667487} O2 4 1
8 {} {0.331794995652 0.36407443086 0.669323579706} O3 5 1
14 {} {0.285696002105 0.522885204665 0.687990330776} Si3 6 1
14 {} {0.504157529302 0.620081727057 0.427347320944} Si4 7 1
1 {} {0.33081925274 0.111337387518 0.663078019498} H1 8 1
1 {} {0.214750249158 0.233142001953 0.478644357293} H2 9 1
1 {} {0.667092827669 0.237760794212 0.32666229335} H3 10 1
1 {} {0.695602259015 0.327772116332 0.555453876684} H4 11 1
1 {} {0.130959649197 0.513181416349 0.705528167913} H5 12 1
1 {} {0.341991313986 0.553991281193 0.828712120758} H6 13 1
1 {} {0.345682605294 0.79266263302 0.423832012154} H7 14 1
1 {} {0.538487383809 0.687152958733 0.293204085168} H8 15 1
1 {} {0.591028258552 0.679535017621 0.532114349344} H10 16 1
8 {} {0.343457043174 0.619460219872 0.563931588156} O 17 1
1 {} {0.332300771537 0.771647355567 0.491703004097} 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