iterations/neb0_image03_iter34.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469483036802 0.233408392439 0.480026570811} O1 1 1
14 {} {0.332045401176 0.240718777674 0.568026654327} Si1 2 1
14 {} {0.592890513989 0.331173023349 0.434399821464} Si2 3 1
8 {} {0.532524440295 0.47583429508 0.386252690345} O2 4 1
8 {} {0.333102956346 0.375966366723 0.658637281305} O3 5 1
14 {} {0.274737409465 0.521419373924 0.70592490153} Si3 6 1
14 {} {0.526409592575 0.641753937824 0.388782878374} Si4 7 1
1 {} {0.327160177002 0.1208399772 0.655774209683} H1 8 1
1 {} {0.21540143394 0.241166782461 0.476566557493} H2 9 1
1 {} {0.662453138301 0.25484693273 0.328677834835} H3 10 1
1 {} {0.686537007484 0.340796141273 0.548434281589} H4 11 1
1 {} {0.126754066945 0.512466158179 0.719177005598} H5 12 1
1 {} {0.340421015454 0.555727962695 0.835786636152} H6 13 1
1 {} {0.389380885139 0.699950156353 0.379939733745} H7 14 1
1 {} {0.594830045947 0.696020468646 0.267724345941} H8 15 1
1 {} {0.578121245625 0.685025774922 0.52227319195} H10 16 1
8 {} {0.312357606813 0.623570275028 0.584961944529} O 17 1
1 {} {0.315476148866 0.721833171588 0.589691445973} 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