./iterations/neb0_image06_iter43.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 {} {0.469425378502 0.22402883973 0.482493796602} O1 1 1
14 {} {0.332229501385 0.229591850411 0.57057575654} Si1 2 1
14 {} {0.594598953767 0.321068448505 0.441013958103} Si2 3 1
8 {} {0.537863995456 0.468519855264 0.404066702138} O2 4 1
8 {} {0.333285872517 0.362264426945 0.666144767829} O3 5 1
14 {} {0.294179734386 0.518313982318 0.683369725164} Si3 6 1
14 {} {0.497344932042 0.621353187136 0.448607949537} Si4 7 1
1 {} {0.329481198632 0.113245108461 0.659949692835} H1 8 1
1 {} {0.215474688833 0.234769508313 0.480304257278} H2 9 1
1 {} {0.660968365538 0.25441258409 0.327166798457} H3 10 1
1 {} {0.6910311289 0.333308131479 0.552384769692} H4 11 1
1 {} {0.144426410566 0.531645368948 0.68988108143} H5 12 1
1 {} {0.344353562211 0.567186402531 0.81548198354} H6 13 1
1 {} {0.360202839424 0.787559248941 0.42462737176} H7 14 1
1 {} {0.510629956029 0.682434334854 0.311481300946} H8 15 1
1 {} {0.596705405997 0.686135042847 0.538236335082} H10 16 1
8 {} {0.365496869238 0.593994637086 0.556762971631} O 17 1
1 {} {0.332387333486 0.742686995267 0.478508763801} 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