iterations/neb0_image04_iter81.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467609107397 0.231618489839 0.486002587603} O1 1 1
14 {} {0.330269088273 0.230505172571 0.576760307079} Si1 2 1
14 {} {0.584353403748 0.337701875978 0.438145798573} Si2 3 1
8 {} {0.518012581138 0.482666850342 0.404323339276} O2 4 1
8 {} {0.323568297722 0.360450765249 0.67779310238} O3 5 1
14 {} {0.279300194373 0.515834297092 0.70058678628} Si3 6 1
14 {} {0.523998590408 0.648160914714 0.402943566176} Si4 7 1
1 {} {0.329105204273 0.109077518986 0.662606441518} H1 8 1
1 {} {0.213842637184 0.234214257577 0.484172967154} H2 9 1
1 {} {0.649970059752 0.280557484995 0.316776056518} H3 10 1
1 {} {0.681626232291 0.350435837462 0.55082168127} H4 11 1
1 {} {0.131764390779 0.5299814702 0.697978392824} H5 12 1
1 {} {0.33841482422 0.561313063173 0.828084433075} H6 13 1
1 {} {0.398298152192 0.730188699072 0.392524056914} H7 14 1
1 {} {0.589885460127 0.681948922002 0.274438577699} H8 15 1
1 {} {0.605564646932 0.696053600048 0.518718930945} H10 16 1
8 {} {0.342733304842 0.605656154421 0.576827960078} O 17 1
1 {} {0.301769948837 0.68615258 0.541552998176} 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