./iterations/neb0_image07_iter118.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470025393814 0.225887480558 0.491252283067} O1 1 1
14 {} {0.330773313058 0.222210072773 0.578445250259} Si1 2 1
14 {} {0.604058113175 0.310207514091 0.447411588873} Si2 3 1
8 {} {0.569130337521 0.465139318476 0.407235412124} O2 4 1
8 {} {0.322230953807 0.352717163338 0.678662395463} O3 5 1
14 {} {0.297477217729 0.515205975615 0.672124289788} Si3 6 1
14 {} {0.503919142152 0.608739819276 0.450044012791} Si4 7 1
1 {} {0.328764628415 0.0989691519355 0.662314535424} H1 8 1
1 {} {0.214248373876 0.22548234995 0.484747550509} H2 9 1
1 {} {0.656910269171 0.245581807293 0.326015450677} H3 10 1
1 {} {0.700696390568 0.314961462645 0.559894110248} H4 11 1
1 {} {0.152076666795 0.54186712929 0.663997000919} H5 12 1
1 {} {0.357819144002 0.573979299845 0.794277385596} H6 13 1
1 {} {0.348317660404 0.834306774016 0.437356564893} H7 14 1
1 {} {0.47680130439 0.678921362 0.320765749096} H8 15 1
1 {} {0.597256050337 0.691194714601 0.53342932742} H10 16 1
8 {} {0.367195510221 0.578146421453 0.537008841769} O 17 1
1 {} {0.312385642169 0.789000094713 0.486076191063} 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