iterations/neb0_image07_iter201.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image07

@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 {} {0.47393249238 0.231935477575 0.495680171359} O1 1 1
14 {} {0.333243504421 0.218095286801 0.581258583792} Si1 2 1
14 {} {0.615469348843 0.301726673422 0.45174229634} Si2 3 1
8 {} {0.59823041682 0.462650860414 0.422404170514} O2 4 1
8 {} {0.306751883305 0.348741788599 0.678295542522} O3 5 1
14 {} {0.29058543625 0.510301212663 0.653201642752} Si3 6 1
14 {} {0.495973399484 0.590414784464 0.434866085049} Si4 7 1
1 {} {0.344649016382 0.0982308576017 0.668143911183} H1 8 1
1 {} {0.221441585529 0.207968603596 0.482647892171} H2 9 1
1 {} {0.661444092947 0.235039300826 0.326379912583} H3 10 1
1 {} {0.713862290675 0.287720834317 0.56289461085} H4 11 1
1 {} {0.147872317965 0.550321934286 0.65101253664} H5 12 1
1 {} {0.367935276853 0.580318328341 0.759093856647} H6 13 1
1 {} {0.34412165532 0.914845237682 0.501485474927} H7 14 1
1 {} {0.469549625948 0.637976937767 0.296494818821} H8 15 1
1 {} {0.558397670369 0.692747175145 0.523202082558} H10 16 1
8 {} {0.352372291083 0.546547311294 0.503371242757} O 17 1
1 {} {0.314253630175 0.856935215566 0.538882969629} 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