iterations/neb0_image06_iter88.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469920802791 0.223310837024 0.489871364431} O1 1 1
14 {} {0.331057422937 0.223883228 0.578158240143} Si1 2 1
14 {} {0.594509362398 0.320692992859 0.444577359614} Si2 3 1
8 {} {0.545151178965 0.470438106024 0.408532916841} O2 4 1
8 {} {0.32555720229 0.35333948804 0.679740233097} O3 5 1
14 {} {0.295054775415 0.515228124899 0.678391674768} Si3 6 1
14 {} {0.498252072597 0.621219254813 0.44769947196} Si4 7 1
1 {} {0.327062426533 0.101437034261 0.662663871072} H1 8 1
1 {} {0.215454420386 0.231005825312 0.484113596922} H2 9 1
1 {} {0.654554520945 0.269449692995 0.319340839559} H3 10 1
1 {} {0.689420615413 0.330308378941 0.558212295975} H4 11 1
1 {} {0.147808876303 0.540457088201 0.671128622049} H5 12 1
1 {} {0.353157790904 0.570920866867 0.803996890861} H6 13 1
1 {} {0.367097321962 0.792619064961 0.432471568831} H7 14 1
1 {} {0.505305229158 0.679036530578 0.307983455568} H8 15 1
1 {} {0.596769695872 0.694584120941 0.532630665239} H10 16 1
8 {} {0.364302395137 0.584904225253 0.545688661544} O 17 1
1 {} {0.329649990884 0.749683115304 0.485856264023} 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