iterations/neb0_image02_iter129.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 {} {0.467636156279 0.241583959082 0.482291976398} O1 1 1
14 {} {0.329569138269 0.241883432639 0.570930846254} Si1 2 1
14 {} {0.592442664635 0.335302802776 0.431149690179} Si2 3 1
8 {} {0.536513378532 0.478289714966 0.373849579579} O2 4 1
8 {} {0.326918747171 0.371010779741 0.672111210584} O3 5 1
14 {} {0.260778246114 0.514155264177 0.7184517327} Si3 6 1
14 {} {0.537318062231 0.642866210583 0.3732340891} Si4 7 1
1 {} {0.328376787988 0.118312440736 0.653221082622} H1 8 1
1 {} {0.212119205697 0.247117329748 0.479643608979} H2 9 1
1 {} {0.659154590588 0.261530070387 0.320670883923} H3 10 1
1 {} {0.683941935539 0.361308999481 0.546010826096} H4 11 1
1 {} {0.115048328914 0.495042113313 0.739052676885} H5 12 1
1 {} {0.331984410135 0.556082299312 0.842546047312} H6 13 1
1 {} {0.40027479948 0.693277022705 0.343706294524} H7 14 1
1 {} {0.632269166955 0.691312489437 0.268788394452} H8 15 1
1 {} {0.581351770054 0.695011841653 0.506920511659} H10 16 1
8 {} {0.274429529876 0.628860355441 0.600086855003} O 17 1
1 {} {0.33995918944 0.699570854481 0.608391731057} 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