iterations/neb0_image08_iter92.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 {} {0.471744712491 0.218614360154 0.489555455444} O1 1 1
14 {} {0.333015489764 0.221060355815 0.577937323586} Si1 2 1
14 {} {0.6028417432 0.307260871285 0.444564673406} Si2 3 1
8 {} {0.559939968057 0.459594365143 0.400090874753} O2 4 1
8 {} {0.329069001704 0.352152943747 0.678346339043} O3 5 1
14 {} {0.298734868433 0.514249831219 0.675525078026} Si3 6 1
14 {} {0.504735960176 0.604853240163 0.453631011198} Si4 7 1
1 {} {0.329715571073 0.0993475916141 0.66326661537} H1 8 1
1 {} {0.217581986767 0.226632585099 0.483259185442} H2 9 1
1 {} {0.663416704579 0.244492306478 0.324772588776} H3 10 1
1 {} {0.697241264179 0.31403323996 0.559907895442} H4 11 1
1 {} {0.152320654012 0.538125171206 0.665604927372} H5 12 1
1 {} {0.35644695015 0.57082711809 0.800189821031} H6 13 1
1 {} {0.333003383322 0.845726061951 0.417352238693} H7 14 1
1 {} {0.472712695229 0.683876889726 0.33220428375} H8 15 1
1 {} {0.608762789073 0.671090132701 0.53785500292} H10 16 1
8 {} {0.368155184418 0.584653978395 0.544219450691} O 17 1
1 {} {0.310647204602 0.815926940544 0.482775188404} 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