./iterations/neb0_image08_iter153.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 {} {0.47123560686 0.227625253723 0.493128504625} O1 1 1
14 {} {0.330330936425 0.220504017599 0.57708868607} Si1 2 1
14 {} {0.610075471102 0.302198979916 0.449011575228} Si2 3 1
8 {} {0.583915223905 0.459987894544 0.409239973684} O2 4 1
8 {} {0.318891127946 0.348717199766 0.679368891363} O3 5 1
14 {} {0.301586165729 0.512614483499 0.673393440115} Si3 6 1
14 {} {0.511337249399 0.601118202787 0.450642481129} Si4 7 1
1 {} {0.328498709988 0.0950067266682 0.657298205808} H1 8 1
1 {} {0.217870429138 0.223705935937 0.479320598119} H2 9 1
1 {} {0.662651488119 0.230754667042 0.329984221061} H3 10 1
1 {} {0.706057202752 0.295185052391 0.562816972476} H4 11 1
1 {} {0.157895787828 0.54805216005 0.658718593964} H5 12 1
1 {} {0.364193633594 0.568593802941 0.796214097553} H6 13 1
1 {} {0.322164699615 0.886098447423 0.455277966624} H7 14 1
1 {} {0.463715613783 0.671881653954 0.329864806217} H8 15 1
1 {} {0.607313591362 0.681549745054 0.53118421126} H10 16 1
8 {} {0.376430053404 0.572286747955 0.541847124478} O 17 1
1 {} {0.27592324093 0.826636919209 0.456657471568} 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