iterations/neb0_image07_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470655511462 0.218537625824 0.483457580806} O1 1 1
14 {} {0.332313036671 0.225086614644 0.573217369435} Si1 2 1
14 {} {0.599110109852 0.313245834926 0.442942588017} Si2 3 1
8 {} {0.549783619054 0.463827341121 0.402854409752} O2 4 1
8 {} {0.332176055786 0.355374538706 0.67422381957} O3 5 1
14 {} {0.297948301429 0.516132283786 0.68028541191} Si3 6 1
14 {} {0.501000023231 0.610272290928 0.45593694268} Si4 7 1
1 {} {0.327463594889 0.104087698906 0.659563453546} H1 8 1
1 {} {0.215458728781 0.23381640804 0.479654714455} H2 9 1
1 {} {0.662765686996 0.25349973938 0.323301410483} H3 10 1
1 {} {0.692769474025 0.328038287146 0.557946754945} H4 11 1
1 {} {0.1510936418 0.537509039878 0.673776201754} H5 12 1
1 {} {0.354103660561 0.571228456488 0.80610969093} H6 13 1
1 {} {0.347520825504 0.813390249969 0.418802238243} H7 14 1
1 {} {0.483257102104 0.684277791222 0.328527707224} H8 15 1
1 {} {0.601670704101 0.67952949252 0.540471033416} H10 16 1
8 {} {0.367563840672 0.588423522873 0.550306178759} O 17 1
1 {} {0.323432229862 0.776240747786 0.479680457263} 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