iterations/neb0_image08_iter18.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47099326854 0.21978581803 0.490081680123} O1 1 1
14 {} {0.334270495546 0.222775444842 0.582310034685} Si1 2 1
14 {} {0.603142624446 0.305243890801 0.441790005381} Si2 3 1
8 {} {0.556610539187 0.457217602463 0.396298335994} O2 4 1
8 {} {0.329149177034 0.358284031228 0.673598041103} O3 5 1
14 {} {0.293951618211 0.519924661913 0.673513607987} Si3 6 1
14 {} {0.501924234721 0.60481727794 0.444929536269} Si4 7 1
1 {} {0.33792345009 0.107228312944 0.676367543464} H1 8 1
1 {} {0.216396155673 0.217624009527 0.489580567962} H2 9 1
1 {} {0.662049513924 0.231113116807 0.326289109045} H3 10 1
1 {} {0.700293570962 0.314820258092 0.555410517843} H4 11 1
1 {} {0.141473002274 0.52603052632 0.678531348282} H5 12 1
1 {} {0.344425793284 0.565563965426 0.809472457999} H6 13 1
1 {} {0.33006048306 0.846932895806 0.412724712361} H7 14 1
1 {} {0.504941648812 0.678081005229 0.31563124212} H8 15 1
1 {} {0.602330241848 0.670619294254 0.532146616763} H10 16 1
8 {} {0.364399392142 0.593465860922 0.543099608785} O 17 1
1 {} {0.315750935892 0.832989993726 0.48928303951} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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