iterations/neb0_image06_iter210.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475182060674 0.226504330254 0.48553923749} O1 1 1
14 {} {0.331431364893 0.216422009382 0.565407092319} Si1 2 1
14 {} {0.609481804782 0.318247766015 0.459048867236} Si2 3 1
8 {} {0.57325490068 0.476535604363 0.473509766411} O2 4 1
8 {} {0.298786221324 0.352688681365 0.65160657835} O3 5 1
14 {} {0.285182741332 0.516105742381 0.65252963709} Si3 6 1
14 {} {0.487459702987 0.612972859325 0.447849181185} Si4 7 1
1 {} {0.33505426882 0.103559446376 0.664473289011} H1 8 1
1 {} {0.224542891054 0.197191253396 0.462358036439} H2 9 1
1 {} {0.653436089021 0.295018455503 0.319053461695} H3 10 1
1 {} {0.713102872291 0.292946313294 0.562682099176} H4 11 1
1 {} {0.145132005906 0.547565272991 0.695120116557} H5 12 1
1 {} {0.382583874246 0.57743197396 0.745291847852} H6 13 1
1 {} {0.389444362096 0.81112530899 0.530199445568} H7 14 1
1 {} {0.468163097716 0.65367187206 0.305842724821} H8 15 1
1 {} {0.587124443426 0.713572467506 0.501678931795} H10 16 1
8 {} {0.329391179723 0.576210510367 0.504799682181} O 17 1
1 {} {0.321332046417 0.784748028372 0.504068114841} 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
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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
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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