iterations/neb0_image09_iter151.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 {} {0.471971553533 0.216779971773 0.494370881001} O1 1 1
14 {} {0.333981760322 0.215676181974 0.583511462745} Si1 2 1
14 {} {0.604729404038 0.299084036416 0.44444323538} Si2 3 1
8 {} {0.566248055145 0.452911686728 0.400159500392} O2 4 1
8 {} {0.324860650517 0.350313777845 0.677791579914} O3 5 1
14 {} {0.2985613146 0.512460505321 0.672855064852} Si3 6 1
14 {} {0.509079444718 0.598187708136 0.451742744097} Si4 7 1
1 {} {0.336578111471 0.0968352141664 0.672553222833} H1 8 1
1 {} {0.218273572988 0.212712443174 0.489672883011} H2 9 1
1 {} {0.65955182 0.229323731092 0.32544189226} H3 10 1
1 {} {0.703619127178 0.30375254134 0.555959875899} H4 11 1
1 {} {0.153505675414 0.540667012014 0.657031554932} H5 12 1
1 {} {0.354837833537 0.570042811042 0.797857238972} H6 13 1
1 {} {0.320282948581 0.896977147124 0.421908186401} H7 14 1
1 {} {0.472922133818 0.677947032344 0.332208924174} H8 15 1
1 {} {0.613626223386 0.664290903964 0.534533184489} H10 16 1
8 {} {0.373635441357 0.579673920277 0.54209540784} O 17 1
1 {} {0.293821054496 0.854881306193 0.476920962281} 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