iterations/neb0_image09_iter173.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 {} {0.472152241628 0.216888560677 0.493912618574} O1 1 1
14 {} {0.333696643766 0.215631180772 0.582668722341} Si1 2 1
14 {} {0.605599252744 0.298489388688 0.444526223482} Si2 3 1
8 {} {0.567590746763 0.452445165909 0.40063580872} O2 4 1
8 {} {0.323218634448 0.34920380744 0.678269591577} O3 5 1
14 {} {0.299151945357 0.512193834801 0.672822458201} Si3 6 1
14 {} {0.510241563773 0.597646909472 0.451729002569} Si4 7 1
1 {} {0.335814985005 0.0968990778548 0.671718159762} H1 8 1
1 {} {0.21832580062 0.212941605812 0.488357385304} H2 9 1
1 {} {0.659462051205 0.229230387821 0.325032131436} H3 10 1
1 {} {0.70444867552 0.302240560781 0.556195488532} H4 11 1
1 {} {0.153835423815 0.540529556476 0.658893444963} H5 12 1
1 {} {0.355265078878 0.568388616919 0.798583312448} H6 13 1
1 {} {0.319397144578 0.903583568446 0.424446495216} H7 14 1
1 {} {0.47398943156 0.676967420631 0.331807754993} H8 15 1
1 {} {0.61470194222 0.665232199098 0.533716190975} H10 16 1
8 {} {0.374137611355 0.578417778684 0.542768780584} O 17 1
1 {} {0.289056936109 0.855588299718 0.474974155284} 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