iterations/neb0_image06_iter261.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.473054352938 0.240045800551 0.490932747597} O1 1 1
14 {} {0.327256818325 0.2181208269 0.563003184253} Si1 2 1
14 {} {0.608148565958 0.32838470362 0.465487359073} Si2 3 1
8 {} {0.578152971063 0.484932535594 0.501489565471} O2 4 1
8 {} {0.278592121329 0.353958864672 0.640948129128} O3 5 1
14 {} {0.280889120568 0.517049485937 0.652595688974} Si3 6 1
14 {} {0.49043646482 0.614698922591 0.452572025181} Si4 7 1
1 {} {0.33794991959 0.111175919998 0.666216089899} H1 8 1
1 {} {0.229757823069 0.184236316783 0.455138363012} H2 9 1
1 {} {0.646446618168 0.320295658005 0.322189721704} H3 10 1
1 {} {0.715585767914 0.282824813336 0.55648481915} H4 11 1
1 {} {0.145812972877 0.551755401701 0.706528273942} H5 12 1
1 {} {0.382766730892 0.570744302304 0.746082778438} H6 13 1
1 {} {0.391252478931 0.801734841498 0.51867530221} H7 14 1
1 {} {0.473859123928 0.630477039503 0.306203009556} H8 15 1
1 {} {0.593988217307 0.720239282382 0.487440660077} H10 16 1
8 {} {0.328450989843 0.578173041288 0.505771784708} O 17 1
1 {} {0.327684941077 0.763670270571 0.493298730907} 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