iterations/neb0_image06_iter148.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 {} {0.472508576011 0.232773508124 0.482498712262} O1 1 1
14 {} {0.333255944058 0.221390053176 0.567147154346} Si1 2 1
14 {} {0.60847698562 0.31979277197 0.450043379011} Si2 3 1
8 {} {0.577110802198 0.476465218834 0.438268032297} O2 4 1
8 {} {0.306168042048 0.353013597402 0.664259195019} O3 5 1
14 {} {0.281567190849 0.514793802956 0.660812839492} Si3 6 1
14 {} {0.482391171768 0.609277856843 0.447837835604} Si4 7 1
1 {} {0.333751023433 0.10656338765 0.662694710843} H1 8 1
1 {} {0.223085259566 0.213944295707 0.467031570763} H2 9 1
1 {} {0.662126425814 0.276723395068 0.320645923328} H3 10 1
1 {} {0.704956241188 0.304153392279 0.560254481778} H4 11 1
1 {} {0.137651565838 0.537028142255 0.700390169737} H5 12 1
1 {} {0.371708347648 0.587881224372 0.7525766698} H6 13 1
1 {} {0.39578988298 0.817543529542 0.504888031114} H7 14 1
1 {} {0.474239584022 0.659914954948 0.306802239537} H8 15 1
1 {} {0.582653658097 0.697081391094 0.519544444717} H10 16 1
8 {} {0.330193519493 0.569741385629 0.509860852516} O 17 1
1 {} {0.33245174928 0.774435928199 0.515501763227} 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