iterations/neb0_image08_iter36.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 {} {0.470694084278 0.218432273059 0.488360591807} O1 1 1
14 {} {0.334182159718 0.222484541671 0.579131588166} Si1 2 1
14 {} {0.601033793305 0.305951040474 0.443040453245} Si2 3 1
8 {} {0.552637947895 0.45719762007 0.400425008855} O2 4 1
8 {} {0.331818634005 0.356659876286 0.671450944605} O3 5 1
14 {} {0.296968169557 0.51758686588 0.672609411356} Si3 6 1
14 {} {0.503692495511 0.604260257064 0.452235475759} Si4 7 1
1 {} {0.335388687378 0.107006858029 0.671071162885} H1 8 1
1 {} {0.217099604242 0.221662861649 0.488013382878} H2 9 1
1 {} {0.661767600656 0.238183021604 0.326933874346} H3 10 1
1 {} {0.697982275817 0.318935982772 0.554431800863} H4 11 1
1 {} {0.149096872285 0.533083592821 0.673642397609} H5 12 1
1 {} {0.347209013104 0.570131303077 0.802210329967} H6 13 1
1 {} {0.332422081984 0.836667428224 0.413618682928} H7 14 1
1 {} {0.487844480299 0.679165232363 0.323514357934} H8 15 1
1 {} {0.605521681655 0.673324025421 0.538862072114} H10 16 1
8 {} {0.365327401151 0.587953483325 0.541809720945} O 17 1
1 {} {0.319399148648 0.823831704738 0.48969675187} 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