iterations/neb0_image06_iter134.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 {} {0.47041320262 0.227725652963 0.488063701879} O1 1 1
14 {} {0.329328006801 0.223934483854 0.572825349687} Si1 2 1
14 {} {0.601378266499 0.320191365414 0.449090663952} Si2 3 1
8 {} {0.565322014579 0.475676704679 0.423632912814} O2 4 1
8 {} {0.318945462926 0.353043441 0.673729938861} O3 5 1
14 {} {0.289879009926 0.515333054269 0.665400939329} Si3 6 1
14 {} {0.491314802975 0.61900199438 0.446904058137} Si4 7 1
1 {} {0.330410438496 0.103169284276 0.658559089449} H1 8 1
1 {} {0.215069917021 0.223067285067 0.476307924428} H2 9 1
1 {} {0.656820270593 0.26483989668 0.322344970763} H3 10 1
1 {} {0.701208575129 0.318549685313 0.560839404118} H4 11 1
1 {} {0.143192681805 0.536619182563 0.681060078231} H5 12 1
1 {} {0.364495267765 0.581725559214 0.775644793774} H6 13 1
1 {} {0.386007329778 0.804534586424 0.475508237464} H7 14 1
1 {} {0.482187770608 0.676241558554 0.308400841997} H8 15 1
1 {} {0.589785017832 0.697598976089 0.527170478712} H10 16 1
8 {} {0.34495706251 0.572124440393 0.519865065372} O 17 1
1 {} {0.329370969941 0.759140745733 0.505709532619} 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