./iterations/neb0_image01_iter106.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 {} {0.467164780195 0.243204198028 0.473447598823} O1 1 1
14 {} {0.328031678071 0.249587216713 0.560538058617} Si1 2 1
14 {} {0.598334055614 0.332245406098 0.430175488432} Si2 3 1
8 {} {0.552771655866 0.475655459899 0.364887919768} O2 4 1
8 {} {0.331303470087 0.379921924021 0.660467821499} O3 5 1
14 {} {0.262448144986 0.515137121798 0.724655425912} Si3 6 1
14 {} {0.531567245516 0.63876599307 0.371697972662} Si4 7 1
1 {} {0.320346923463 0.125996590236 0.642939878012} H1 8 1
1 {} {0.213370266016 0.25931094141 0.465866898871} H2 9 1
1 {} {0.670728730029 0.255131650132 0.326089096929} H3 10 1
1 {} {0.683634034969 0.35693730944 0.550198509951} H4 11 1
1 {} {0.117672016763 0.490246777583 0.747950863431} H5 12 1
1 {} {0.337787961008 0.545147033926 0.84974013165} H6 13 1
1 {} {0.390048870911 0.672534055995 0.341010784465} H7 14 1
1 {} {0.622077294562 0.704384008199 0.272925216982} H8 15 1
1 {} {0.564074895029 0.689202674887 0.509411579603} H10 16 1
8 {} {0.267597904855 0.64365675968 0.621798450704} O 17 1
1 {} {0.351126203599 0.6954528347 0.617256300643} 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