./iterations/neb0_image03_iter167.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.45985926013 0.259856567545 0.493451422739} O1 1 1
14 {} {0.3249612794 0.235533619375 0.582808665615} Si1 2 1
14 {} {0.582490618198 0.349642096482 0.432157675057} Si2 3 1
8 {} {0.528719158843 0.492842262608 0.373575602884} O2 4 1
8 {} {0.308954945629 0.34962137871 0.698971306469} O3 5 1
14 {} {0.262506384628 0.504952963529 0.73106571598} Si3 6 1
14 {} {0.556620256496 0.655127595411 0.364879900778} Si4 7 1
1 {} {0.338107196994 0.102433910838 0.648421890271} H1 8 1
1 {} {0.206595885229 0.239763632142 0.49187350748} H2 9 1
1 {} {0.640320074912 0.27191663413 0.319490489084} H3 10 1
1 {} {0.684123469869 0.374292828748 0.539148761735} H4 11 1
1 {} {0.113808759292 0.516459751067 0.726493999526} H5 12 1
1 {} {0.320767147647 0.537773244005 0.863661614438} H6 13 1
1 {} {0.430462427231 0.723463829453 0.327958335378} H7 14 1
1 {} {0.65940118969 0.680855197634 0.259843148705} H8 15 1
1 {} {0.607368427893 0.707679370275 0.494284001054} H10 16 1
8 {} {0.324800842468 0.607937588419 0.616033040145} O 17 1
1 {} {0.260218876308 0.662365584791 0.566938722594} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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