iterations/neb0_image06_iter273.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 {} {0.470695789403 0.250380753668 0.488583447983} O1 1 1
14 {} {0.324804596751 0.221643416801 0.559690288648} Si1 2 1
14 {} {0.608272037886 0.336264771607 0.471848839228} Si2 3 1
8 {} {0.584739444163 0.489870954951 0.527845619632} O2 4 1
8 {} {0.257200067274 0.353966907389 0.631886068961} O3 5 1
14 {} {0.275263254222 0.515930638131 0.656439210551} Si3 6 1
14 {} {0.493808756643 0.611337522713 0.460257841376} Si4 7 1
1 {} {0.341101810335 0.120245600665 0.667285734327} H1 8 1
1 {} {0.237103865681 0.176166660882 0.449622624896} H2 9 1
1 {} {0.640026769722 0.345213677979 0.325351294465} H3 10 1
1 {} {0.718741996723 0.275048997446 0.551372206395} H4 11 1
1 {} {0.145083000505 0.564579296554 0.713582747761} H5 12 1
1 {} {0.381696330842 0.559847754535 0.751484200795} H6 13 1
1 {} {0.400406812608 0.791022193509 0.501352170339} H7 14 1
1 {} {0.472849342988 0.612928258314 0.314774751698} H8 15 1
1 {} {0.594721795669 0.724704044777 0.475293808687} H10 16 1
8 {} {0.32729950964 0.574508457031 0.509276821069} O 17 1
1 {} {0.336270881504 0.74885824097 0.475110656803} 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