iterations/neb0_image06_iter6.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 {} {0.470709341155 0.227534876983 0.485659475877} O1 1 1
14 {} {0.332004745087 0.228479243381 0.575123029213} Si1 2 1
14 {} {0.603444650868 0.306033301051 0.441141445715} Si2 3 1
8 {} {0.562451606592 0.460473082237 0.383822210652} O2 4 1
8 {} {0.331357244125 0.357818868228 0.669002853382} O3 5 1
14 {} {0.279606349151 0.517370537245 0.698455369001} Si3 6 1
14 {} {0.511975565533 0.608657869755 0.426168367592} Si4 7 1
1 {} {0.33288663292 0.113683060397 0.666921621299} H1 8 1
1 {} {0.216309641649 0.229262659333 0.483179576731} H2 9 1
1 {} {0.66529477895 0.2351683276 0.32714586508} H3 10 1
1 {} {0.696584466222 0.323683249129 0.555068037821} H4 11 1
1 {} {0.131115271656 0.513510612422 0.698244555782} H5 12 1
1 {} {0.344326772712 0.555510779542 0.825338787144} H6 13 1
1 {} {0.344643747432 0.81260262474 0.391572786345} H7 14 1
1 {} {0.539793593106 0.691016627879 0.291229164458} H8 15 1
1 {} {0.590778785618 0.676498223069 0.52580213674} H10 16 1
8 {} {0.33556929898 0.619103695826 0.566134223581} O 17 1
1 {} {0.321233650943 0.796110323059 0.52104849653} 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