iterations/neb0_image08_iter70.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 {} {0.471957073714 0.217373036772 0.488461602352} O1 1 1
14 {} {0.334158295771 0.221153186692 0.578131040918} Si1 2 1
14 {} {0.601841386598 0.306567828846 0.44396489024} Si2 3 1
8 {} {0.556402157767 0.458760029068 0.401789789286} O2 4 1
8 {} {0.330927685035 0.354160382683 0.674413040634} O3 5 1
14 {} {0.298066852313 0.515510318845 0.675021624375} Si3 6 1
14 {} {0.503434086157 0.604532349751 0.454036770308} Si4 7 1
1 {} {0.331069187395 0.10174218294 0.665729915759} H1 8 1
1 {} {0.218073196193 0.225012205388 0.485729414651} H2 9 1
1 {} {0.662868374101 0.243900830285 0.324347365013} H3 10 1
1 {} {0.696239425577 0.316942935682 0.558380193741} H4 11 1
1 {} {0.151691369428 0.53773177584 0.66494514699} H5 12 1
1 {} {0.355717110495 0.573372375057 0.7991559889} H6 13 1
1 {} {0.333221366621 0.837918223655 0.415288586069} H7 14 1
1 {} {0.473343401921 0.683889493121 0.33222026514} H8 15 1
1 {} {0.606397494041 0.670236592855 0.539430285649} H10 16 1
8 {} {0.366850184764 0.586487102616 0.543651209419} O 17 1
1 {} {0.317827474873 0.817227124548 0.486360858125} 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
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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