iterations/neb0_image06_iter164.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472573458225 0.228914746447 0.48485138924} O1 1 1
14 {} {0.331396271901 0.223001488111 0.568057159135} Si1 2 1
14 {} {0.609157603217 0.316014479466 0.451810471711} Si2 3 1
8 {} {0.568030154232 0.472417599767 0.443893887256} O2 4 1
8 {} {0.305134286055 0.355276007005 0.661247058696} O3 5 1
14 {} {0.283627227219 0.517758429609 0.6579401409} Si3 6 1
14 {} {0.485946192568 0.611601552153 0.445233733497} Si4 7 1
1 {} {0.337298942014 0.106389384359 0.660324421398} H1 8 1
1 {} {0.225071902865 0.208147346565 0.465048640326} H2 9 1
1 {} {0.663466521267 0.280705770995 0.316352958561} H3 10 1
1 {} {0.708198893642 0.29762366191 0.563681636224} H4 11 1
1 {} {0.141546745176 0.540172116436 0.699271210639} H5 12 1
1 {} {0.373383501014 0.584131742661 0.756335365991} H6 13 1
1 {} {0.394014925558 0.818017062726 0.512714860784} H7 14 1
1 {} {0.471223768239 0.657508609863 0.304227157874} H8 15 1
1 {} {0.579403724719 0.701925091737 0.520652267813} H10 16 1
8 {} {0.331954482817 0.574471676447 0.509143591906} O 17 1
1 {} {0.328657340045 0.778441062502 0.510272080582} 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