iterations/neb0_image05_iter295.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.467691805539 0.282790184407 0.493899484559} O1 1 1
14 {} {0.325020746826 0.237092879588 0.559732639709} Si1 2 1
14 {} {0.616843303326 0.349538299992 0.47520845907} Si2 3 1
8 {} {0.614615503631 0.50550670687 0.528302028813} O2 4 1
8 {} {0.244294868423 0.366403814858 0.618858855749} O3 5 1
14 {} {0.227746118913 0.52717175928 0.649041430116} Si3 6 1
14 {} {0.57773279023 0.654143494283 0.467179110781} Si4 7 1
1 {} {0.34751936334 0.137780325347 0.669437646044} H1 8 1
1 {} {0.244183121757 0.179192774873 0.450027603153} H2 9 1
1 {} {0.649391595088 0.347323417361 0.328834056662} H3 10 1
1 {} {0.715296988456 0.27308822013 0.556327293161} H4 11 1
1 {} {0.11905890653 0.555275885275 0.74780952035} H5 12 1
1 {} {0.360872227193 0.566419166323 0.699844726463} H6 13 1
1 {} {0.549421414087 0.747529899743 0.580691213441} H7 14 1
1 {} {0.460025890397 0.645658550248 0.376722292354} H8 15 1
1 {} {0.697371557378 0.703292588796 0.387562162242} H10 16 1
8 {} {0.18608360162 0.614338002682 0.514927553963} O 17 1
1 {} {0.206916274621 0.579972197009 0.426652188729} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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