iterations/neb0_image02_iter23.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 {} {0.468947637012 0.238450112997 0.474375385147} O1 1 1
14 {} {0.329611259635 0.245836515907 0.561386567474} Si1 2 1
14 {} {0.598356408031 0.331065464987 0.43168760375} Si2 3 1
8 {} {0.547937225363 0.476257818812 0.373034222612} O2 4 1
8 {} {0.332754648342 0.377649044893 0.66043811063} O3 5 1
14 {} {0.27052417982 0.51823491023 0.718541690119} Si3 6 1
14 {} {0.528122563 0.639934265105 0.378577032115} Si4 7 1
1 {} {0.320822442987 0.122301252751 0.645133509501} H1 8 1
1 {} {0.214048640933 0.254573577743 0.466950904206} H2 9 1
1 {} {0.671023888747 0.249273473672 0.329585431687} H3 10 1
1 {} {0.68653790092 0.345235419393 0.552676496164} H4 11 1
1 {} {0.124805669175 0.496599676164 0.736526337314} H5 12 1
1 {} {0.341976265471 0.540530344791 0.848922732647} H6 13 1
1 {} {0.386930426507 0.689962752457 0.354402656934} H7 14 1
1 {} {0.605749169432 0.702067632073 0.270415888731} H8 15 1
1 {} {0.5646796217 0.685448281885 0.513628730298} H10 16 1
8 {} {0.282677240898 0.638443555859 0.607460923502} O 17 1
1 {} {0.334580957336 0.720653865884 0.607313766999} 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