iterations/neb0_image02_iter195.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.462973608922 0.255367859167 0.490764577616} O1 1 1
14 {} {0.328191685433 0.239715775573 0.582776127097} Si1 2 1
14 {} {0.585227523738 0.345310443722 0.429659126433} Si2 3 1
8 {} {0.529100949974 0.487260910439 0.369182087014} O2 4 1
8 {} {0.317456369002 0.360609363972 0.693356832718} O3 5 1
14 {} {0.249880847651 0.506750024574 0.727119435641} Si3 6 1
14 {} {0.55340531708 0.64994911692 0.361037916744} Si4 7 1
1 {} {0.338968979979 0.110959355578 0.655799349313} H1 8 1
1 {} {0.209364616352 0.241552284573 0.49343450183} H2 9 1
1 {} {0.645426767125 0.266948530238 0.318832062571} H3 10 1
1 {} {0.683973237623 0.374285331688 0.537783419829} H4 11 1
1 {} {0.103261143045 0.490701965025 0.742748785016} H5 12 1
1 {} {0.316614532645 0.555365820106 0.851041981107} H6 13 1
1 {} {0.426819735556 0.714934427404 0.317407216249} H7 14 1
1 {} {0.661931802164 0.681203407573 0.263527168637} H8 15 1
1 {} {0.590842774126 0.702785473249 0.496051340866} H10 16 1
8 {} {0.266366491673 0.613145352928 0.60220767457} O 17 1
1 {} {0.340279748007 0.675672508717 0.598328515702} 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