iterations/neb0_image02_iter56.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 {} {0.468040248467 0.236041647759 0.475224077856} O1 1 1
14 {} {0.329407639318 0.244651547104 0.563128186432} Si1 2 1
14 {} {0.59588204658 0.330801995802 0.432000517077} Si2 3 1
8 {} {0.544379114621 0.474732935442 0.374169433914} O2 4 1
8 {} {0.333323297868 0.376630402478 0.66082474496} O3 5 1
14 {} {0.267201877916 0.517000018666 0.715255284087} Si3 6 1
14 {} {0.528197769927 0.638477163986 0.380263434298} Si4 7 1
1 {} {0.322918723485 0.122660824673 0.648607136438} H1 8 1
1 {} {0.212866175527 0.252565490847 0.469881374267} H2 9 1
1 {} {0.666751942439 0.259584418755 0.322683788257} H3 10 1
1 {} {0.683369286027 0.354088606298 0.550677754218} H4 11 1
1 {} {0.121311051642 0.49797889527 0.73729946045} H5 12 1
1 {} {0.340754479426 0.553993872905 0.839214962345} H6 13 1
1 {} {0.387100039586 0.676749245491 0.357904704044} H7 14 1
1 {} {0.613802225359 0.698543251213 0.274387020476} H8 15 1
1 {} {0.575137817293 0.690559726514 0.512762567062} H10 16 1
8 {} {0.280999905937 0.634730582324 0.601140539843} O 17 1
1 {} {0.338642496638 0.712727328713 0.615633003434} 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