iterations/neb0_image08_iter64.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471632828032 0.216035699891 0.487983949516} O1 1 1
14 {} {0.334366472857 0.221017711809 0.577908906861} Si1 2 1
14 {} {0.601814045711 0.306836716455 0.44369895185} Si2 3 1
8 {} {0.556240634437 0.458403373 0.401938814617} O2 4 1
8 {} {0.331472008988 0.355150106393 0.6741088664} O3 5 1
14 {} {0.29791714955 0.515723393372 0.674794883271} Si3 6 1
14 {} {0.503140634384 0.604705573612 0.453967460149} Si4 7 1
1 {} {0.331713635886 0.102161333205 0.666867348224} H1 8 1
1 {} {0.217255607296 0.224575699191 0.485697426437} H2 9 1
1 {} {0.662634916988 0.243341821449 0.324300823963} H3 10 1
1 {} {0.696606455229 0.318084199658 0.557974318048} H4 11 1
1 {} {0.151420227888 0.537814133197 0.665105974358} H5 12 1
1 {} {0.355224849228 0.573897106834 0.798848840055} H6 13 1
1 {} {0.333166782486 0.836254528984 0.415549086755} H7 14 1
1 {} {0.474257814697 0.683320298329 0.332131007795} H8 15 1
1 {} {0.605826728978 0.670373186074 0.539615693632} H10 16 1
8 {} {0.366312115526 0.586925944701 0.544006058504} O 17 1
1 {} {0.319083214447 0.817897143734 0.486559584483} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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