iterations/neb0_image09_iter83.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 {} {0.472416164368 0.213479382783 0.494902454951} O1 1 1
14 {} {0.335911897532 0.21647947294 0.586440001112} Si1 2 1
14 {} {0.603131649843 0.299370465034 0.444972209079} Si2 3 1
8 {} {0.559934743363 0.451956265627 0.401378679829} O2 4 1
8 {} {0.328400564978 0.35454944665 0.675730224553} O3 5 1
14 {} {0.296723517292 0.516054602192 0.669477486414} Si3 6 1
14 {} {0.506863853233 0.59928807142 0.45101940811} Si4 7 1
1 {} {0.339729272544 0.101970442893 0.680955731107} H1 8 1
1 {} {0.218333946334 0.209352209694 0.49515983402} H2 9 1
1 {} {0.659103421118 0.23254104932 0.324975132607} H3 10 1
1 {} {0.701740915723 0.305630213689 0.556640561084} H4 11 1
1 {} {0.150385935049 0.538026001184 0.656011544056} H5 12 1
1 {} {0.351302722424 0.575896180793 0.794083154914} H6 13 1
1 {} {0.323426653417 0.87864780207 0.413922111406} H7 14 1
1 {} {0.475714183417 0.678873196874 0.329727575679} H8 15 1
1 {} {0.611558756783 0.663641451757 0.535616636165} H10 16 1
8 {} {0.368620039852 0.584705764345 0.53816761658} O 17 1
1 {} {0.306787929988 0.852055921816 0.481877610749} 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