iterations/neb0_image05_iter92.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471326839018 0.225241944368 0.489622811564} O1 1 1
14 {} {0.332495604755 0.223338576973 0.575266087033} Si1 2 1
14 {} {0.589910826113 0.333479716631 0.445409111933} Si2 3 1
8 {} {0.531297429285 0.481970422153 0.419972079314} O2 4 1
8 {} {0.326475476764 0.35707900969 0.67487225679} O3 5 1
14 {} {0.287711551073 0.514589870379 0.682459929706} Si3 6 1
14 {} {0.500735461459 0.648122498874 0.428541966199} Si4 7 1
1 {} {0.326260847449 0.100715789717 0.660853327339} H1 8 1
1 {} {0.214932959687 0.231390230231 0.48389002336} H2 9 1
1 {} {0.650035565776 0.279658914178 0.320803396662} H3 10 1
1 {} {0.687899611713 0.331768553688 0.557752590975} H4 11 1
1 {} {0.142212267415 0.540575065625 0.673321312754} H5 12 1
1 {} {0.357303451094 0.574362016078 0.7984160665} H6 13 1
1 {} {0.40301826932 0.77360680829 0.435413620378} H7 14 1
1 {} {0.531590862145 0.674565011698 0.284658081886} H8 15 1
1 {} {0.599033072741 0.696332825704 0.529016998996} H10 16 1
8 {} {0.341876280618 0.595810570705 0.543818130555} O 17 1
1 {} {0.315969723278 0.689910109993 0.526970200296} 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