./iterations/neb0_image09_iter255.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 {} {0.472408776451 0.213933058216 0.494654469818} O1 1 1
14 {} {0.333326889209 0.214722301672 0.581637318627} Si1 2 1
14 {} {0.60673682736 0.294977475601 0.446087052309} Si2 3 1
8 {} {0.570535763698 0.450202380795 0.407299315256} O2 4 1
8 {} {0.322770483047 0.350481736471 0.674355657343} O3 5 1
14 {} {0.300528557392 0.513111322679 0.672175549158} Si3 6 1
14 {} {0.511867158517 0.597120872244 0.452471052681} Si4 7 1
1 {} {0.334099817033 0.0978052153928 0.672846689855} H1 8 1
1 {} {0.219147284761 0.210096331614 0.486169924034} H2 9 1
1 {} {0.658867715521 0.22848174369 0.323997498701} H3 10 1
1 {} {0.706406186715 0.293559520934 0.556976643856} H4 11 1
1 {} {0.15584353986 0.544589327288 0.659607914547} H5 12 1
1 {} {0.359304871539 0.566955620047 0.797681534021} H6 13 1
1 {} {0.314481135363 0.917324861678 0.434953145025} H7 14 1
1 {} {0.475808644282 0.67233099056 0.329755740667} H8 15 1
1 {} {0.615143348297 0.667409327931 0.533748698395} H10 16 1
8 {} {0.375125613152 0.580416724519 0.54148363849} O 17 1
1 {} {0.277683548624 0.858999115556 0.465155804359} 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