./iterations/neb0_image06_iter85.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 {} {0.469836605624 0.223545780514 0.489587640629} O1 1 1
14 {} {0.331050548751 0.224243272576 0.57825911075} Si1 2 1
14 {} {0.594370881714 0.320217751562 0.444414095275} Si2 3 1
8 {} {0.544408638944 0.470312820607 0.408641784741} O2 4 1
8 {} {0.325600706985 0.353262293196 0.679564681287} O3 5 1
14 {} {0.295061872352 0.515338284146 0.678848256545} Si3 6 1
14 {} {0.498554002485 0.620906330101 0.44775037289} Si4 7 1
1 {} {0.327054704752 0.102000769494 0.662796404564} H1 8 1
1 {} {0.215767813201 0.231113522571 0.484200819645} H2 9 1
1 {} {0.654756262675 0.269630638764 0.319119870322} H3 10 1
1 {} {0.688938662898 0.330929811817 0.557930697617} H4 11 1
1 {} {0.147858153777 0.5402722524 0.671732115212} H5 12 1
1 {} {0.352515165974 0.570514125329 0.804938330269} H6 13 1
1 {} {0.367183173421 0.791653787116 0.431196808889} H7 14 1
1 {} {0.505574256212 0.679244515908 0.308365565713} H8 15 1
1 {} {0.597125925743 0.694411698923 0.532781745373} H10 16 1
8 {} {0.364808447868 0.585497187608 0.545949434902} O 17 1
1 {} {0.329620280343 0.749423131447 0.484980255527} 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