iterations/neb0_image08_iter9.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 {} {0.470751077531 0.22008910119 0.49192694508} O1 1 1
14 {} {0.334744098773 0.219913383778 0.581940874494} Si1 2 1
14 {} {0.603874187596 0.301608905488 0.442762164337} Si2 3 1
8 {} {0.562703644917 0.45384942527 0.392417229522} O2 4 1
8 {} {0.328116360504 0.35820264963 0.674898180752} O3 5 1
14 {} {0.290176614653 0.517308701911 0.678792387646} Si3 6 1
14 {} {0.500800609099 0.600945975654 0.445502874397} Si4 7 1
1 {} {0.339097381273 0.108712659415 0.678074598441} H1 8 1
1 {} {0.217392448154 0.215484125736 0.491958460791} H2 9 1
1 {} {0.661207359658 0.229769966461 0.326436573178} H3 10 1
1 {} {0.700935853296 0.312962342193 0.555223769754} H4 11 1
1 {} {0.138297857926 0.524519810887 0.677182590812} H5 12 1
1 {} {0.345220499539 0.565492955771 0.811172034184} H6 13 1
1 {} {0.327720546216 0.853830380157 0.417059215891} H7 14 1
1 {} {0.510993577107 0.681754320447 0.308318434999} H8 15 1
1 {} {0.602138027824 0.669933588846 0.529539799111} H10 16 1
8 {} {0.361628463764 0.59947170705 0.54433528392} O 17 1
1 {} {0.314287541863 0.838667960616 0.48351658158} 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