./iterations/neb0_image08_iter284.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 {} {0.474204186151 0.212862228451 0.493761927641} O1 1 1
14 {} {0.33422698598 0.214610728362 0.579308207829} Si1 2 1
14 {} {0.611580065097 0.293239011438 0.453372866393} Si2 3 1
8 {} {0.583681935885 0.452844817948 0.429987370686} O2 4 1
8 {} {0.317109342118 0.353673189131 0.66509425338} O3 5 1
14 {} {0.296709976703 0.516573589463 0.658459886965} Si3 6 1
14 {} {0.505528032682 0.596363978701 0.443622648941} Si4 7 1
1 {} {0.335706277449 0.103751684389 0.677282064758} H1 8 1
1 {} {0.222812847862 0.202796923561 0.482180696899} H2 9 1
1 {} {0.663222668563 0.237952673414 0.326470599952} H3 10 1
1 {} {0.709399418554 0.278397400528 0.563598489446} H4 11 1
1 {} {0.15148154979 0.54855489012 0.65947701731} H5 12 1
1 {} {0.367701472312 0.576050079208 0.774665711645} H6 13 1
1 {} {0.317625154776 0.914752876969 0.471283426718} H7 14 1
1 {} {0.476892284805 0.650274726009 0.307954111772} H8 15 1
1 {} {0.592377389077 0.6890494395 0.521551263033} H10 16 1
8 {} {0.360795717938 0.577822764434 0.51996672508} O 17 1
1 {} {0.28903084021 0.852946835476 0.503020509296} 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