./iterations/neb0_image02_iter51.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467962092659 0.236218349641 0.475106753341} O1 1 1
14 {} {0.329185355367 0.244822016853 0.562991034325} Si1 2 1
14 {} {0.595679437703 0.330622338326 0.432190374161} Si2 3 1
8 {} {0.544329876082 0.474981641155 0.374061288516} O2 4 1
8 {} {0.333970617222 0.376987683465 0.660505471178} O3 5 1
14 {} {0.267484741073 0.516603765443 0.715521655755} Si3 6 1
14 {} {0.529040593446 0.638657366116 0.380242294071} Si4 7 1
1 {} {0.322850977478 0.122822528202 0.648013494794} H1 8 1
1 {} {0.213103925701 0.252726544128 0.469545774437} H2 9 1
1 {} {0.667008979019 0.259115971207 0.323301671978} H3 10 1
1 {} {0.683713849241 0.353613855375 0.550723300475} H4 11 1
1 {} {0.121481485852 0.498425377049 0.737375954581} H5 12 1
1 {} {0.340859810455 0.552863676417 0.839708318242} H6 13 1
1 {} {0.386690554933 0.67669041114 0.358071768286} H7 14 1
1 {} {0.613269149204 0.698949407793 0.273971384614} H8 15 1
1 {} {0.574034441674 0.690140478078 0.512966854816} H10 16 1
8 {} {0.28158435277 0.635755480046 0.601419933029} O 17 1
1 {} {0.337835906408 0.712521064746 0.615340662927} 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