iterations/neb0_image04_iter19.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.46985041685 0.227563422888 0.481736806922} O1 1 1
14 {} {0.331523425536 0.236661781943 0.572523067099} Si1 2 1
14 {} {0.600217608297 0.319828264279 0.436814023945} Si2 3 1
8 {} {0.548162891184 0.471950932405 0.385767451483} O2 4 1
8 {} {0.331480604425 0.373743118163 0.663764684114} O3 5 1
14 {} {0.279213215874 0.528586299302 0.695992337914} Si3 6 1
14 {} {0.509210143338 0.640948790434 0.400656976911} Si4 7 1
1 {} {0.329188016683 0.114430523993 0.661164194595} H1 8 1
1 {} {0.21429833303 0.236208101347 0.477229383482} H2 9 1
1 {} {0.667161564398 0.239627559514 0.327521018102} H3 10 1
1 {} {0.693956485159 0.329979981851 0.554878847848} H4 11 1
1 {} {0.128282732865 0.510427338418 0.710064122389} H5 12 1
1 {} {0.342795524022 0.552589251554 0.83275692802} H6 13 1
1 {} {0.373572439804 0.755813593854 0.383402847808} H7 14 1
1 {} {0.56718409663 0.691620162198 0.277025895771} H8 15 1
1 {} {0.583436080289 0.678078809762 0.526850751101} H10 16 1
8 {} {0.323012057128 0.633073000607 0.58440806441} O 17 1
1 {} {0.317540499249 0.73138703187 0.558500603683} 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