./iterations/neb0_image08_iter121.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471225975952 0.220773270907 0.489474411979} O1 1 1
14 {} {0.331947123444 0.220782371815 0.577224857388} Si1 2 1
14 {} {0.604840268057 0.305780600919 0.445442231492} Si2 3 1
8 {} {0.56580036688 0.459369838359 0.402519078748} O2 4 1
8 {} {0.325947329697 0.350735787084 0.678311527777} O3 5 1
14 {} {0.29986363202 0.51324900603 0.67581431859} Si3 6 1
14 {} {0.507523507355 0.604021465189 0.453404056473} Si4 7 1
1 {} {0.328640397663 0.0981747097839 0.661231153324} H1 8 1
1 {} {0.216423466028 0.227002865418 0.48284630962} H2 9 1
1 {} {0.662545618907 0.239271982357 0.326139956501} H3 10 1
1 {} {0.700142548125 0.312899522797 0.559894229005} H4 11 1
1 {} {0.154028319444 0.539944315553 0.6653434971} H5 12 1
1 {} {0.357035573826 0.569156697457 0.801206483116} H6 13 1
1 {} {0.332616197833 0.858499918349 0.424545190601} H7 14 1
1 {} {0.473385073879 0.680202338312 0.330748493018} H8 15 1
1 {} {0.609302479353 0.67597431193 0.536171520578} H10 16 1
8 {} {0.371853136434 0.580666370514 0.544827997376} O 17 1
1 {} {0.296965155968 0.816012607144 0.475912621591} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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