iterations/neb0_image08_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470854104648 0.217771229185 0.488066804461} O1 1 1
14 {} {0.334055523691 0.222063028558 0.578724809771} Si1 2 1
14 {} {0.600944068976 0.305661896428 0.443380618882} Si2 3 1
8 {} {0.553165962429 0.457128351213 0.400452665009} O2 4 1
8 {} {0.332174649616 0.355988095243 0.671723762547} O3 5 1
14 {} {0.296716849245 0.516609258836 0.673664276742} Si3 6 1
14 {} {0.503559089684 0.604220032534 0.452694087438} Si4 7 1
1 {} {0.335005649137 0.106741602849 0.670473028701} H1 8 1
1 {} {0.216973593575 0.22214061515 0.487653826392} H2 9 1
1 {} {0.661764236502 0.239139841622 0.326622817117} H3 10 1
1 {} {0.697860571196 0.319370074905 0.554718159106} H4 11 1
1 {} {0.149183287926 0.534161820554 0.672357122717} H5 12 1
1 {} {0.348423002311 0.571157033697 0.801787577207} H6 13 1
1 {} {0.332402967137 0.835465406111 0.415211364704} H7 14 1
1 {} {0.485614379707 0.679809079251 0.324629061503} H8 15 1
1 {} {0.605820275155 0.673365425525 0.539529854401} H10 16 1
8 {} {0.365573958571 0.588673794113 0.541218543076} O 17 1
1 {} {0.319993958682 0.823051382121 0.488149626627} 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
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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