iterations/neb0_image08_iter17.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 {} {0.471016931925 0.219852342039 0.490127433786} O1 1 1
14 {} {0.334248925603 0.22280507821 0.582384247106} Si1 2 1
14 {} {0.603213642878 0.304971938653 0.441858350733} Si2 3 1
8 {} {0.556899215494 0.457211750026 0.39598580573} O2 4 1
8 {} {0.329185964584 0.357724548606 0.673610117436} O3 5 1
14 {} {0.293653385211 0.520058211866 0.673918665226} Si3 6 1
14 {} {0.501435404581 0.604375474356 0.445438284635} Si4 7 1
1 {} {0.337973429932 0.107310053912 0.676448291469} H1 8 1
1 {} {0.216412318328 0.217553750559 0.489643508979} H2 9 1
1 {} {0.662033625285 0.23101950391 0.326277555975} H3 10 1
1 {} {0.700330529392 0.314757588016 0.555423057787} H4 11 1
1 {} {0.141071019394 0.525858417455 0.67863605655} H5 12 1
1 {} {0.344455960919 0.565500908413 0.80980942199} H6 13 1
1 {} {0.329907797471 0.84698287152 0.413186989151} H7 14 1
1 {} {0.505409799946 0.678453410924 0.314871979008} H8 15 1
1 {} {0.60234894766 0.67065529157 0.532025807275} H10 16 1
8 {} {0.364701770972 0.594118419895 0.54261529207} O 17 1
1 {} {0.315787476271 0.833308405962 0.488797140267} 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