iterations/neb0_image01_iter10.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467820520708 0.24426098312 0.471308090022} O1 1 1
14 {} {0.327156527585 0.25034802983 0.555934598349} Si1 2 1
14 {} {0.602447620767 0.328774457028 0.432064833149} Si2 3 1
8 {} {0.561926944775 0.475646195893 0.365260147917} O2 4 1
8 {} {0.331378948774 0.379593923162 0.658549757132} O3 5 1
14 {} {0.267024292196 0.512698659644 0.728403497834} Si3 6 1
14 {} {0.524790558881 0.636354371116 0.370421124047} Si4 7 1
1 {} {0.316461364462 0.127059683475 0.637698675798} H1 8 1
1 {} {0.213770734868 0.264944504133 0.461065425261} H2 9 1
1 {} {0.675496804666 0.248828692637 0.330001337487} H3 10 1
1 {} {0.684866822651 0.350477550834 0.554591245181} H4 11 1
1 {} {0.12091948982 0.487547420315 0.748467667929} H5 12 1
1 {} {0.341681337439 0.530788917268 0.856249936273} H6 13 1
1 {} {0.388101501705 0.684888364695 0.334737612992} H7 14 1
1 {} {0.613046713227 0.704375388476 0.272100860501} H8 15 1
1 {} {0.559183205981 0.689681285799 0.506670804622} H10 16 1
8 {} {0.271296948993 0.642786991922 0.632354740688} O 17 1
1 {} {0.342715797429 0.713462533061 0.615177640215} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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