./iterations/neb0_image01_iter218.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.463266863648 0.257548355793 0.478327353471} O1 1 1
14 {} {0.327173327524 0.250550437149 0.569364030802} Si1 2 1
14 {} {0.596729721357 0.337401395801 0.426281028279} Si2 3 1
8 {} {0.556174626682 0.47718532892 0.350135175538} O2 4 1
8 {} {0.322809136315 0.373280249304 0.678245715882} O3 5 1
14 {} {0.254385808071 0.512691532644 0.733491750288} Si3 6 1
14 {} {0.539329613579 0.640670659714 0.35996292013} Si4 7 1
1 {} {0.329652993301 0.122188093416 0.644351337649} H1 8 1
1 {} {0.2097921023 0.259500790613 0.478049799339} H2 9 1
1 {} {0.665141840123 0.250376267704 0.327594968542} H3 10 1
1 {} {0.683654755191 0.369480844743 0.543017807817} H4 11 1
1 {} {0.107849363169 0.494062298151 0.750182209684} H5 12 1
1 {} {0.323222590123 0.542888470498 0.861955074473} H6 13 1
1 {} {0.40453212667 0.679195125912 0.311370585964} H7 14 1
1 {} {0.644801412756 0.707276411783 0.277871615128} H8 15 1
1 {} {0.554035258911 0.685344977231 0.502814943515} H10 16 1
8 {} {0.269628292195 0.637143048335 0.626272667919} O 17 1
1 {} {0.357906072976 0.675733499432 0.611768891568} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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