iterations/neb0_image09_iter64.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 {} {0.472392526963 0.212356598444 0.494471671511} O1 1 1
14 {} {0.336220287792 0.216187627304 0.586428472763} Si1 2 1
14 {} {0.603032563664 0.298856960625 0.445066051077} Si2 3 1
8 {} {0.559981964261 0.451591442949 0.402250299065} O2 4 1
8 {} {0.329185294769 0.355229560967 0.674565729749} O3 5 1
14 {} {0.296606831034 0.516336093013 0.669249477908} Si3 6 1
14 {} {0.506652201002 0.599061518824 0.451108717621} Si4 7 1
1 {} {0.340267643618 0.102583220059 0.681858679375} H1 8 1
1 {} {0.21814413484 0.208973870957 0.496075974708} H2 9 1
1 {} {0.658696891287 0.23204069331 0.324812420967} H3 10 1
1 {} {0.70197495276 0.306965509819 0.556366995368} H4 11 1
1 {} {0.150223312428 0.538392364222 0.655370037002} H5 12 1
1 {} {0.351246127557 0.576895718947 0.7936426505} H6 13 1
1 {} {0.323712303407 0.878023925562 0.412803468642} H7 14 1
1 {} {0.476129097105 0.677990027592 0.329455800204} H8 15 1
1 {} {0.610552877467 0.663731284363 0.536180504395} H10 16 1
8 {} {0.3678407274 0.585312149612 0.538822839611} O 17 1
1 {} {0.307226430516 0.851989376863 0.482528193523} 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