iterations/neb0_image06_iter18.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 {} {0.46962222794 0.22651442635 0.482561451009} O1 1 1
14 {} {0.331264733328 0.232310544061 0.574657542603} Si1 2 1
14 {} {0.602180395516 0.312636814072 0.439075353956} Si2 3 1
8 {} {0.553779483203 0.466129394002 0.387360607955} O2 4 1
8 {} {0.331894459018 0.36323219442 0.669134734161} O3 5 1
14 {} {0.28531284534 0.522872888208 0.688523238045} Si3 6 1
14 {} {0.504366139165 0.61959507578 0.427149043766} Si4 7 1
1 {} {0.330890217219 0.11137582376 0.663253370622} H1 8 1
1 {} {0.214739883056 0.23302106119 0.478726483104} H2 9 1
1 {} {0.667066579638 0.237590640851 0.326649793829} H3 10 1
1 {} {0.695662290737 0.327626939438 0.555484185612} H4 11 1
1 {} {0.130701217237 0.51307238054 0.705423216922} H5 12 1
1 {} {0.342115963895 0.553984690101 0.828851464549} H6 13 1
1 {} {0.345546270841 0.793091214317 0.423192561031} H7 14 1
1 {} {0.538797468838 0.687425439616 0.29280234545} H8 15 1
1 {} {0.591053908536 0.679463045163 0.531973146035} H10 16 1
8 {} {0.343086869834 0.620005844965 0.563820508065} O 17 1
1 {} {0.332005195631 0.772569540026 0.492418950623} 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