iterations/neb0_image08_iter179.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 {} {0.471038317146 0.227797599782 0.493116420336} O1 1 1
14 {} {0.329923087019 0.2207591604 0.576763399115} Si1 2 1
14 {} {0.612107378483 0.299934765667 0.450107866827} Si2 3 1
8 {} {0.58938431856 0.458051460279 0.411814388054} O2 4 1
8 {} {0.313901478459 0.347973050968 0.680345560441} O3 5 1
14 {} {0.300582578739 0.511716145955 0.672433141786} Si3 6 1
14 {} {0.512282997964 0.598194748494 0.449794558799} Si4 7 1
1 {} {0.330804623152 0.0972798131456 0.658864836027} H1 8 1
1 {} {0.21824005289 0.221680436638 0.477937459729} H2 9 1
1 {} {0.66328744631 0.230984819357 0.329092035847} H3 10 1
1 {} {0.70821048686 0.290440098545 0.563689121965} H4 11 1
1 {} {0.15746951687 0.549667758631 0.66140512542} H5 12 1
1 {} {0.363470148422 0.567960884535 0.794486475117} H6 13 1
1 {} {0.314933592436 0.895853831792 0.468320294414} H7 14 1
1 {} {0.469255331434 0.664008130178 0.324555463302} H8 15 1
1 {} {0.605555688497 0.684200271358 0.527660178144} H10 16 1
8 {} {0.377191954914 0.569096992352 0.53851813147} O 17 1
1 {} {0.272447260065 0.83691790018 0.4521533353} 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