iterations/neb0_image09_iter13.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47164400235 0.215307307282 0.495760153876} O1 1 1
14 {} {0.336206372515 0.21639810843 0.587764355152} Si1 2 1
14 {} {0.604014294606 0.298525023761 0.444039918373} Si2 3 1
8 {} {0.561791256033 0.450636349849 0.398782691662} O2 4 1
8 {} {0.326997107059 0.35659767988 0.675734364626} O3 5 1
14 {} {0.294791836407 0.517370965802 0.669321414258} Si3 6 1
14 {} {0.506395992508 0.598232253608 0.446607540527} Si4 7 1
1 {} {0.343093744771 0.105452754704 0.685602561389} H1 8 1
1 {} {0.217998314436 0.206419106498 0.497785825923} H2 9 1
1 {} {0.658404716743 0.226254004814 0.326073442347} H3 10 1
1 {} {0.703621644112 0.305802553136 0.555196757943} H4 11 1
1 {} {0.144392759226 0.531664090349 0.662882724441} H5 12 1
1 {} {0.345897899143 0.57190389033 0.800461974536} H6 13 1
1 {} {0.322307591334 0.887188965992 0.410509583997} H7 14 1
1 {} {0.494058603989 0.675068395966 0.319787663086} H8 15 1
1 {} {0.607866617551 0.664725813643 0.531875225699} H10 16 1
8 {} {0.365917105083 0.587921206404 0.540443570714} O 17 1
1 {} {0.304686293283 0.857049489038 0.482428231561} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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