iterations/neb0_image09_iter294.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 {} {0.472351201921 0.210552668125 0.4955277262} O1 1 1
14 {} {0.333514047114 0.214269375433 0.582562147681} Si1 2 1
14 {} {0.606956477648 0.292510594399 0.447831702838} Si2 3 1
8 {} {0.57121009461 0.448706463649 0.413755737303} O2 4 1
8 {} {0.322931089551 0.353303534278 0.670027218352} O3 5 1
14 {} {0.300454408212 0.515653226003 0.669202838492} Si3 6 1
14 {} {0.512631292178 0.597107206664 0.452012264109} Si4 7 1
1 {} {0.334006435535 0.100826747518 0.678336409588} H1 8 1
1 {} {0.219302489479 0.206708805266 0.487528778756} H2 9 1
1 {} {0.657783435384 0.229047404556 0.323645917351} H3 10 1
1 {} {0.707531759453 0.288252009316 0.557814544107} H4 11 1
1 {} {0.155243371307 0.546342403594 0.660345620437} H5 12 1
1 {} {0.361427658243 0.569536696393 0.793730665788} H6 13 1
1 {} {0.312599246418 0.919269688417 0.438979005458} H7 14 1
1 {} {0.480429245877 0.668001192237 0.325728609055} H8 15 1
1 {} {0.613896222261 0.669899986921 0.533681139397} H10 16 1
8 {} {0.372730586735 0.583842420223 0.538422151675} O 17 1
1 {} {0.275087178984 0.858687443243 0.461925175724} 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