./iterations/neb0_image08_iter159.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 {} {0.470621038855 0.228548757605 0.493299548103} O1 1 1
14 {} {0.329973657265 0.220096076396 0.576813300796} Si1 2 1
14 {} {0.611307563569 0.301533541829 0.449634232263} Si2 3 1
8 {} {0.586260926429 0.459245760044 0.409818747789} O2 4 1
8 {} {0.316895224631 0.348414259825 0.6799514115} O3 5 1
14 {} {0.301241625997 0.511855865653 0.673421204163} Si3 6 1
14 {} {0.510961206231 0.600345297877 0.450880672322} Si4 7 1
1 {} {0.329220265291 0.0956396677917 0.657669749422} H1 8 1
1 {} {0.218363808466 0.223207951831 0.47873985976} H2 9 1
1 {} {0.662868141843 0.230184889275 0.329764397383} H3 10 1
1 {} {0.707498578795 0.29239208694 0.563776407477} H4 11 1
1 {} {0.157215694502 0.548613258984 0.65947982353} H5 12 1
1 {} {0.364404436784 0.56836052328 0.796473527006} H6 13 1
1 {} {0.319024683192 0.889821297192 0.462235748992} H7 14 1
1 {} {0.465041743414 0.670041948134 0.327349645352} H8 15 1
1 {} {0.607389869566 0.682565301462 0.529726676246} H10 16 1
8 {} {0.377520847704 0.570905300345 0.539624062416} O 17 1
1 {} {0.274276931882 0.830746092064 0.452398790142} 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