iterations/neb0_image08_iter201.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 {} {0.471377021071 0.226954124647 0.493195824774} O1 1 1
14 {} {0.330015185096 0.219613165356 0.576616700155} Si1 2 1
14 {} {0.612922016915 0.298387882028 0.450380709145} Si2 3 1
8 {} {0.59118534742 0.457350380275 0.414545179108} O2 4 1
8 {} {0.313393895444 0.348256936328 0.677953647795} O3 5 1
14 {} {0.30025307884 0.512596137978 0.671379304529} Si3 6 1
14 {} {0.512787662773 0.59717925831 0.44921105101} Si4 7 1
1 {} {0.331230455019 0.0964458581131 0.66023979749} H1 8 1
1 {} {0.218438594878 0.219796003245 0.477500242667} H2 9 1
1 {} {0.663725402005 0.23119881112 0.327937928082} H3 10 1
1 {} {0.708765735891 0.288691828651 0.564033941419} H4 11 1
1 {} {0.156905089907 0.55141639265 0.661021717253} H5 12 1
1 {} {0.364623451865 0.56817586546 0.793557194439} H6 13 1
1 {} {0.312835651885 0.902406803836 0.471483496014} H7 14 1
1 {} {0.471215755945 0.658197265927 0.319879505557} H8 15 1
1 {} {0.603393820495 0.685926456251 0.528251776292} H10 16 1
8 {} {0.376021815093 0.56831744821 0.53713035368} O 17 1
1 {} {0.270996278943 0.841607246071 0.456739383112} 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