./iterations/neb0_image01_iter215.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 {} {0.463642374315 0.256722126532 0.478005790315} O1 1 1
14 {} {0.327286202979 0.250709635207 0.568736245123} Si1 2 1
14 {} {0.596751715627 0.337078582349 0.426481577485} Si2 3 1
8 {} {0.555968275003 0.477058710305 0.350984812628} O2 4 1
8 {} {0.323393039717 0.37414191802 0.676961565999} O3 5 1
14 {} {0.254810231871 0.5127053261 0.733101358043} Si3 6 1
14 {} {0.539286822634 0.640512849859 0.360734439074} Si4 7 1
1 {} {0.32899961603 0.122798252711 0.644262647931} H1 8 1
1 {} {0.210150396473 0.259354777902 0.477206580006} H2 9 1
1 {} {0.665504598144 0.25052357257 0.327702934502} H3 10 1
1 {} {0.68369313085 0.368657590537 0.543261407872} H4 11 1
1 {} {0.108434888056 0.494104696938 0.750395420702} H5 12 1
1 {} {0.323987906765 0.542644797909 0.861423276569} H6 13 1
1 {} {0.403479055939 0.67866790013 0.313414549268} H7 14 1
1 {} {0.643155174945 0.707259847582 0.277359811666} H8 15 1
1 {} {0.554686280311 0.685239325442 0.503342282563} H10 16 1
8 {} {0.269429695607 0.63798205369 0.626259500021} O 17 1
1 {} {0.357426507603 0.67635583788 0.61142368197} 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