iterations/neb0_image05_iter115.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471601186572 0.227919620831 0.489700070806} O1 1 1
14 {} {0.330441441018 0.223883958024 0.572654676046} Si1 2 1
14 {} {0.593120800086 0.332543206777 0.449447469717} Si2 3 1
8 {} {0.533229181539 0.483296914062 0.428615554149} O2 4 1
8 {} {0.323142205401 0.357612201562 0.671006194538} O3 5 1
14 {} {0.285788073814 0.51565882516 0.676844259212} Si3 6 1
14 {} {0.507926039563 0.65114503097 0.428127528827} Si4 7 1
1 {} {0.328963619292 0.103034642583 0.659503189103} H1 8 1
1 {} {0.212702310946 0.225769381509 0.480286987549} H2 9 1
1 {} {0.648944685393 0.277872017726 0.3233556594} H3 10 1
1 {} {0.695533608467 0.327735948334 0.558725815374} H4 11 1
1 {} {0.138789487894 0.534889420741 0.685260221434} H5 12 1
1 {} {0.359999405604 0.577076831559 0.789437852648} H6 13 1
1 {} {0.413947446959 0.776609476348 0.442277966253} H7 14 1
1 {} {0.52327667988 0.675129315767 0.28037950687} H8 15 1
1 {} {0.610610819346 0.698215520096 0.528608065382} H10 16 1
8 {} {0.331341535996 0.594835863572 0.535213155836} O 17 1
1 {} {0.300727544323 0.689289741198 0.531613829877} 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