iterations/neb0_image09_iter261.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472372167912 0.213976548731 0.494526238165} O1 1 1
14 {} {0.333288265927 0.214769075127 0.581713480331} Si1 2 1
14 {} {0.606601413802 0.295116577253 0.445957316213} Si2 3 1
8 {} {0.570275110671 0.450532606313 0.406801076161} O2 4 1
8 {} {0.322828167547 0.35039270364 0.674435110375} O3 5 1
14 {} {0.300498640995 0.513216105129 0.672051658511} Si3 6 1
14 {} {0.511984413129 0.597124563142 0.452493758608} Si4 7 1
1 {} {0.334261216974 0.0977142458302 0.672824956695} H1 8 1
1 {} {0.219002340728 0.210324036681 0.486353670034} H2 9 1
1 {} {0.658906742978 0.228451386899 0.323995757869} H3 10 1
1 {} {0.706313184777 0.294497505031 0.556872046168} H4 11 1
1 {} {0.155663493246 0.544307686591 0.659575793855} H5 12 1
1 {} {0.359032894707 0.567233152375 0.797716985297} H6 13 1
1 {} {0.314862384349 0.916242103481 0.434153307079} H7 14 1
1 {} {0.475666109027 0.672301936006 0.329877063824} H8 15 1
1 {} {0.615114764957 0.667472881407 0.533995712474} H10 16 1
8 {} {0.374882314203 0.580129949734 0.541786499965} O 17 1
1 {} {0.278532526618 0.858714865199 0.465927221014} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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