iterations/neb0_image02_iter270.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 {} {0.456375179826 0.267478239784 0.487984513919} O1 1 1
14 {} {0.325916938498 0.240327455604 0.5838585938} Si1 2 1
14 {} {0.583504635975 0.350021685495 0.427635808025} Si2 3 1
8 {} {0.534050333051 0.493903303187 0.365529730424} O2 4 1
8 {} {0.310924728023 0.356968721283 0.699303200627} O3 5 1
14 {} {0.241732119306 0.502668417028 0.732971810246} Si3 6 1
14 {} {0.56437770183 0.655554828789 0.356146749087} Si4 7 1
1 {} {0.346586720514 0.110273669708 0.652513251972} H1 8 1
1 {} {0.204375353855 0.238263396378 0.497114013406} H2 9 1
1 {} {0.642191881161 0.268111506951 0.318132430832} H3 10 1
1 {} {0.682086111838 0.375391929574 0.537175679908} H4 11 1
1 {} {0.0951077158485 0.484468657269 0.751915104787} H5 12 1
1 {} {0.310917354414 0.553698710207 0.855282852805} H6 13 1
1 {} {0.438569219832 0.721041151799 0.312703425546} H7 14 1
1 {} {0.674235553112 0.683327139686 0.259565900455} H8 15 1
1 {} {0.603286594742 0.708307684983 0.49108244073} H10 16 1
8 {} {0.254553538108 0.609925092626 0.608369815873} O 17 1
1 {} {0.341294710458 0.652786604386 0.593772460777} 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