./iterations/neb0_image08_iter283.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 {} {0.47406540056 0.21318306073 0.493701133148} O1 1 1
14 {} {0.333978538575 0.214749234295 0.579180265097} Si1 2 1
14 {} {0.611731099388 0.293262296799 0.453349901085} Si2 3 1
8 {} {0.584389899448 0.452943157934 0.42955498487} O2 4 1
8 {} {0.316738932689 0.353340726796 0.665624173394} O3 5 1
14 {} {0.296794305611 0.516329891622 0.658915547392} Si3 6 1
14 {} {0.505841322238 0.596282159538 0.443846953166} Si4 7 1
1 {} {0.33562628846 0.103558368338 0.676727048414} H1 8 1
1 {} {0.222601841609 0.203318645476 0.481924808404} H2 9 1
1 {} {0.66323235685 0.237571235704 0.326525853357} H3 10 1
1 {} {0.709624242542 0.278592025186 0.563658193545} H4 11 1
1 {} {0.151673830812 0.548806494275 0.659598169367} H5 12 1
1 {} {0.36761044909 0.575724638527 0.775248660076} H6 13 1
1 {} {0.317332579004 0.915282016723 0.471854245524} H7 14 1
1 {} {0.476942083832 0.650162406199 0.308132481052} H8 15 1
1 {} {0.592735945592 0.689241543728 0.521596213896} H10 16 1
8 {} {0.361431343612 0.577395799666 0.520385891414} O 17 1
1 {} {0.287735691432 0.852774137768 0.501233253266} 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