./iterations/neb0_image06_iter249.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 {} {0.473858525629 0.236142749045 0.492549183231} O1 1 1
14 {} {0.327455969998 0.217435128104 0.56344461849} Si1 2 1
14 {} {0.606943726313 0.327740623662 0.464860417233} Si2 3 1
8 {} {0.578631252367 0.485396115733 0.495720686947} O2 4 1
8 {} {0.282528008713 0.35250434425 0.644868226531} O3 5 1
14 {} {0.282651779303 0.516501440158 0.651931923453} Si3 6 1
14 {} {0.49029296561 0.615334092891 0.45035334232} Si4 7 1
1 {} {0.33676984322 0.109688729363 0.664692692745} H1 8 1
1 {} {0.228137810955 0.185338079213 0.457485826145} H2 9 1
1 {} {0.647476324613 0.315500590683 0.321550674741} H3 10 1
1 {} {0.714500772364 0.284369527139 0.557430386846} H4 11 1
1 {} {0.146857040011 0.548522383628 0.703210699753} H5 12 1
1 {} {0.383297414314 0.57273220889 0.742897419947} H6 13 1
1 {} {0.389414813869 0.806732570522 0.521151164412} H7 14 1
1 {} {0.474185770073 0.634115155619 0.304924616354} H8 15 1
1 {} {0.593753638335 0.718921338049 0.489535140771} H10 16 1
8 {} {0.328656274556 0.577581194211 0.50466445904} O 17 1
1 {} {0.324674054132 0.767961730834 0.499786733219} 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