iterations/neb0_image02_iter67.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468325924049 0.236425428408 0.475941929494} O1 1 1
14 {} {0.329671342367 0.243881191031 0.563792108093} Si1 2 1
14 {} {0.595693889758 0.330677967409 0.43168407543} Si2 3 1
8 {} {0.543287449791 0.474618144638 0.374459457273} O2 4 1
8 {} {0.331272586905 0.375694864316 0.66178130116} O3 5 1
14 {} {0.266782626246 0.51738976452 0.714549230663} Si3 6 1
14 {} {0.529210854741 0.638577637386 0.380277775946} Si4 7 1
1 {} {0.323166034112 0.122652016176 0.649556359415} H1 8 1
1 {} {0.213222694559 0.251817518294 0.47137124015} H2 9 1
1 {} {0.666318753465 0.26028704042 0.321699551622} H3 10 1
1 {} {0.68268654594 0.354574098617 0.55035870908} H4 11 1
1 {} {0.121274149085 0.496735671215 0.737049458532} H5 12 1
1 {} {0.340193840687 0.556564336971 0.83849243178} H6 13 1
1 {} {0.387070122361 0.677854015642 0.357206212468} H7 14 1
1 {} {0.615161030339 0.697851722362 0.2743391743} H8 15 1
1 {} {0.576915545349 0.69113415825 0.512408564659} H10 16 1
8 {} {0.280386984737 0.634362133077 0.600016854787} O 17 1
1 {} {0.339445749329 0.711420260217 0.616073546335} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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