./iterations/neb0_image04_iter193.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465496758058 0.25291276632 0.488453290729} O1 1 1
14 {} {0.325529530258 0.22960619731 0.570981840714} Si1 2 1
14 {} {0.592514733253 0.346680466974 0.443599964348} Si2 3 1
8 {} {0.544264125777 0.500234906018 0.415971871928} O2 4 1
8 {} {0.293746247126 0.350514278627 0.676260259033} O3 5 1
14 {} {0.253871757575 0.506621156856 0.704545696735} Si3 6 1
14 {} {0.562742236449 0.663046780458 0.399480547405} Si4 7 1
1 {} {0.340206878881 0.10487928594 0.650169098243} H1 8 1
1 {} {0.215774641217 0.218925465067 0.471436201882} H2 9 1
1 {} {0.647943244119 0.290156513708 0.316825382946} H3 10 1
1 {} {0.693743388114 0.345086512831 0.553939121788} H4 11 1
1 {} {0.110621576141 0.517047497982 0.743205089111} H5 12 1
1 {} {0.341223127667 0.556069758927 0.813681051848} H6 13 1
1 {} {0.433826228309 0.732786594491 0.420532478573} H7 14 1
1 {} {0.609550270164 0.69122090535 0.259722414332} H8 15 1
1 {} {0.663542906229 0.711788641825 0.498631877453} H10 16 1
8 {} {0.283771182601 0.588783651498 0.564578702089} O 17 1
1 {} {0.231717199738 0.666156486037 0.539043215059} 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