iterations/neb0_image02_iter151.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 {} {0.46494453267 0.247924692477 0.487565632735} O1 1 1
14 {} {0.328649891377 0.239860415237 0.579359703328} Si1 2 1
14 {} {0.587055426734 0.340955515714 0.430332806791} Si2 3 1
8 {} {0.529702987289 0.482773119211 0.3714916688} O2 4 1
8 {} {0.321329420401 0.364821130456 0.685884297944} O3 5 1
14 {} {0.25362365003 0.510203073177 0.723115793713} Si3 6 1
14 {} {0.547357471513 0.646421704745 0.365775429682} Si4 7 1
1 {} {0.334687083642 0.112607767277 0.65604946693} H1 8 1
1 {} {0.211014281473 0.243586133593 0.487656876412} H2 9 1
1 {} {0.651553749195 0.266408462565 0.319584614727} H3 10 1
1 {} {0.684331736103 0.370181470864 0.539421973295} H4 11 1
1 {} {0.107266644929 0.492239175674 0.741200972121} H5 12 1
1 {} {0.322754582059 0.557560992744 0.846281371545} H6 13 1
1 {} {0.415775669595 0.705242027445 0.328395763633} H7 14 1
1 {} {0.651917854932 0.684324076405 0.266208804757} H8 15 1
1 {} {0.587523293921 0.701167461064 0.499778945862} H10 16 1
8 {} {0.269525377476 0.620030769084 0.600511754768} O 17 1
1 {} {0.341072439083 0.686209954716 0.602442245034} 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