./iterations/neb0_image08_iter107.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 {} {0.471028621451 0.220711198127 0.489932997292} O1 1 1
14 {} {0.33237572841 0.220568713704 0.577253124541} Si1 2 1
14 {} {0.603577284766 0.306631518838 0.44508443597} Si2 3 1
8 {} {0.56351255182 0.459679127543 0.402208013837} O2 4 1
8 {} {0.327125801612 0.350833376742 0.677709402326} O3 5 1
14 {} {0.29937778738 0.513048463954 0.676060325086} Si3 6 1
14 {} {0.506189618701 0.604164631879 0.453602709238} Si4 7 1
1 {} {0.328882375792 0.0988571743876 0.661734892881} H1 8 1
1 {} {0.217448850437 0.227614953206 0.483309177426} H2 9 1
1 {} {0.663072688064 0.241994823743 0.325769699178} H3 10 1
1 {} {0.698500898339 0.313772802877 0.559392707782} H4 11 1
1 {} {0.15326306895 0.538885689924 0.666101126699} H5 12 1
1 {} {0.356501484033 0.569465361944 0.801111939539} H6 13 1
1 {} {0.332601068553 0.853876561461 0.421228092485} H7 14 1
1 {} {0.474239772053 0.681825660482 0.331623359579} H8 15 1
1 {} {0.608801186536 0.672975991745 0.535678600335} H10 16 1
8 {} {0.371516563209 0.581424552347 0.544974427823} O 17 1
1 {} {0.302070807526 0.816187377514 0.478282918081} 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