iterations/neb0_image02_iter239.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.458348610806 0.264195465688 0.491094649159} O1 1 1
14 {} {0.326743833493 0.239270460733 0.585674784741} Si1 2 1
14 {} {0.583190162479 0.349310245593 0.427973925544} Si2 3 1
8 {} {0.530331330381 0.492238056577 0.366174586338} O2 4 1
8 {} {0.311995299606 0.355351178752 0.701446368274} O3 5 1
14 {} {0.244047866218 0.502863758589 0.731704662106} Si3 6 1
14 {} {0.561352584638 0.653778855536 0.356274326913} Si4 7 1
1 {} {0.344745618156 0.108959249827 0.655480162164} H1 8 1
1 {} {0.20605191478 0.23959501936 0.497783125523} H2 9 1
1 {} {0.641482459982 0.268622420353 0.317635381474} H3 10 1
1 {} {0.682768311034 0.378376901087 0.535283296735} H4 11 1
1 {} {0.0971073145608 0.486930906384 0.747554593302} H5 12 1
1 {} {0.310831795307 0.554387361152 0.854527846276} H6 13 1
1 {} {0.437165989683 0.721577940823 0.309681210536} H7 14 1
1 {} {0.673989089212 0.680319034706 0.261968780808} H8 15 1
1 {} {0.599520521777 0.707873871923 0.490938422897} H10 16 1
8 {} {0.259655496298 0.607633575313 0.605497853525} O 17 1
1 {} {0.340758076938 0.661233794335 0.594363983008} 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