./iterations/neb0_image08_iter178.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 {} {0.471047662763 0.227916826281 0.493092093859} O1 1 1
14 {} {0.329934108932 0.220826836465 0.576794853909} Si1 2 1
14 {} {0.612147573706 0.29997667146 0.450129066573} Si2 3 1
8 {} {0.589345594232 0.458129533402 0.411740916698} O2 4 1
8 {} {0.31391702053 0.347985294439 0.680392440311} O3 5 1
14 {} {0.300555048107 0.511716162844 0.672514704865} Si3 6 1
14 {} {0.512297902089 0.598277066897 0.449675994515} Si4 7 1
1 {} {0.33079142611 0.097235845643 0.658868078789} H1 8 1
1 {} {0.218243455193 0.221687714604 0.477916291022} H2 9 1
1 {} {0.663251333817 0.230869712837 0.329185326881} H3 10 1
1 {} {0.708270675074 0.290295248936 0.563737781973} H4 11 1
1 {} {0.157471779636 0.549613040974 0.66136853523} H5 12 1
1 {} {0.36348237587 0.567944724134 0.794540655949} H6 13 1
1 {} {0.314970289663 0.895725094081 0.468394027566} H7 14 1
1 {} {0.4691092044 0.664223913707 0.324640510768} H8 15 1
1 {} {0.60563315423 0.68415289528 0.527643891792} H10 16 1
8 {} {0.377163532683 0.569110618302 0.53848400188} O 17 1
1 {} {0.272454120652 0.836830666961 0.451938618908} 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