./iterations/neb0_image09_iter233.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472268821338 0.215014510913 0.493970094575} O1 1 1
14 {} {0.333425619209 0.214970948769 0.581635938811} Si1 2 1
14 {} {0.606423058888 0.296464447917 0.445316382049} Si2 3 1
8 {} {0.570174608067 0.451236945002 0.404460248636} O2 4 1
8 {} {0.322416590553 0.349653628266 0.676020905198} O3 5 1
14 {} {0.300427441068 0.51254911748 0.672807254759} Si3 6 1
14 {} {0.511770388829 0.597306553021 0.452387244078} Si4 7 1
1 {} {0.334131337094 0.0968013656717 0.671511584938} H1 8 1
1 {} {0.218965945808 0.211030564539 0.486258390676} H2 9 1
1 {} {0.659041754658 0.228554933404 0.324300785151} H3 10 1
1 {} {0.705776106934 0.296814594895 0.556513971695} H4 11 1
1 {} {0.15573877045 0.543301051639 0.659467306556} H5 12 1
1 {} {0.358037340054 0.567355961443 0.79834547567} H6 13 1
1 {} {0.315931608837 0.914195236216 0.432628780733} H7 14 1
1 {} {0.474695690643 0.673060646339 0.331025495334} H8 15 1
1 {} {0.614672845236 0.666574645478 0.534224448698} H10 16 1
8 {} {0.375696824596 0.579533652179 0.542759724886} O 17 1
1 {} {0.280491369202 0.858099152738 0.467423600686} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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