iterations/neb0_image05_iter120.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471437513322 0.22753893695 0.488542982646} O1 1 1
14 {} {0.330875228488 0.224363853782 0.571741017704} Si1 2 1
14 {} {0.593738170153 0.333046899703 0.449493423705} Si2 3 1
8 {} {0.534864799832 0.483756381086 0.432056091194} O2 4 1
8 {} {0.322176513223 0.358179370688 0.669309105116} O3 5 1
14 {} {0.284289475247 0.515546317644 0.677573468689} Si3 6 1
14 {} {0.5090364764 0.651572325595 0.428353451161} Si4 7 1
1 {} {0.32954367788 0.104152033933 0.660519551442} H1 8 1
1 {} {0.212412044836 0.22461767259 0.478478978277} H2 9 1
1 {} {0.649864702254 0.277470227778 0.32364289687} H3 10 1
1 {} {0.695699232184 0.328274116895 0.557418039236} H4 11 1
1 {} {0.13760541073 0.533601631902 0.689526987948} H5 12 1
1 {} {0.360254083829 0.57785572616 0.788351703465} H6 13 1
1 {} {0.41552250833 0.775146777497 0.445083634985} H7 14 1
1 {} {0.522877225795 0.674345481416 0.280641034399} H8 15 1
1 {} {0.613910828794 0.697448910704 0.526749661351} H10 16 1
8 {} {0.327023125578 0.595749469365 0.534511105136} O 17 1
1 {} {0.298955053057 0.689851785166 0.529064870667} 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