./iterations/neb0_image06_iter10.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 {} {0.469380362187 0.227061117879 0.485182783271} O1 1 1
14 {} {0.332050284423 0.226266354923 0.572719175633} Si1 2 1
14 {} {0.603719179221 0.308277768987 0.440117503921} Si2 3 1
8 {} {0.561258809514 0.458914775035 0.384273221789} O2 4 1
8 {} {0.330792620753 0.364133518382 0.67205414906} O3 5 1
14 {} {0.283109553196 0.517974164036 0.692100996695} Si3 6 1
14 {} {0.508342235041 0.613868285298 0.425715712348} Si4 7 1
1 {} {0.332388773178 0.112978775516 0.6658562965} H1 8 1
1 {} {0.215854032445 0.23034849886 0.481790037742} H2 9 1
1 {} {0.665891697773 0.235728626981 0.326897676936} H3 10 1
1 {} {0.696471980456 0.324874490266 0.555331954434} H4 11 1
1 {} {0.129540645078 0.512999813781 0.700784534229} H5 12 1
1 {} {0.344181786757 0.555037397628 0.827943872026} H6 13 1
1 {} {0.344511105665 0.807345897216 0.400657586682} H7 14 1
1 {} {0.539637195768 0.689785118758 0.291937056919} H8 15 1
1 {} {0.591465928099 0.67774642295 0.528300117934} H10 16 1
8 {} {0.337128212178 0.618671003377 0.566593211828} O 17 1
1 {} {0.324361743499 0.790505931667 0.512802112856} 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